smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](NC[C@@H](C)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000765118470 1018476203 /nfs/dbraw/zinc/47/62/03/1018476203.db2.gz GIZZAOBGXUZUBD-APWZRJJASA-N 1 3 303.494 3.525 20 10 DHCDHO CC[C@H](NC[C@H](C)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000765118471 1018477767 /nfs/dbraw/zinc/47/77/67/1018477767.db2.gz GIZZAOBGXUZUBD-LPHOPBHVSA-N 1 3 303.494 3.525 20 10 DHCDHO CCN(C)c1ccc([C@@H](C)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000765119278 1018478040 /nfs/dbraw/zinc/47/80/40/1018478040.db2.gz MSUKTAALQPVDAD-IAGOWNOFSA-N 1 3 303.494 3.525 20 10 DHCDHO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000125775554 1032969658 /nfs/dbraw/zinc/96/96/58/1032969658.db2.gz NUKDMQHPCQVNDV-ROUUACIJSA-N 1 3 317.521 3.914 20 10 DHCDHO C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1[O-] ZINC000183423019 1022139414 /nfs/dbraw/zinc/13/94/14/1022139414.db2.gz CGZOCYBAKQHYSF-BBWFWOEESA-N 1 3 304.478 3.801 20 10 DHCDHO C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1[O-] ZINC000183423019 1022139422 /nfs/dbraw/zinc/13/94/22/1022139422.db2.gz CGZOCYBAKQHYSF-BBWFWOEESA-N 1 3 304.478 3.801 20 10 DHCDHO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000769481886 1023152148 /nfs/dbraw/zinc/15/21/48/1023152148.db2.gz ANRPKFDXLQNIKQ-FXAWDEMLSA-N 1 3 317.521 3.695 20 10 DHCDHO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000769481886 1023152151 /nfs/dbraw/zinc/15/21/51/1023152151.db2.gz ANRPKFDXLQNIKQ-FXAWDEMLSA-N 1 3 317.521 3.695 20 10 DHCDHO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)c(O)c1 ZINC000788736038 1023932733 /nfs/dbraw/zinc/93/27/33/1023932733.db2.gz CZCHXECWIVKFKI-IAGOWNOFSA-N 1 3 304.478 3.924 20 10 DHCDHO CCN(CC)c1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000789559335 1024123100 /nfs/dbraw/zinc/12/31/00/1024123100.db2.gz LTBNKSKUTALZNA-UHFFFAOYSA-N 1 3 315.505 3.593 20 10 DHCDHO CCN(CC)c1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000789559335 1024123109 /nfs/dbraw/zinc/12/31/09/1024123109.db2.gz LTBNKSKUTALZNA-UHFFFAOYSA-N 1 3 315.505 3.593 20 10 DHCDHO CC[C@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000269054837 1024232551 /nfs/dbraw/zinc/23/25/51/1024232551.db2.gz WNKAMEIBNMXNRI-FQEVSTJZSA-N 1 3 315.505 3.810 20 10 DHCDHO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000310167924 1024494992 /nfs/dbraw/zinc/49/49/92/1024494992.db2.gz SPAAPPAZLFVEPJ-IEBWSBKVSA-N 1 3 324.468 3.701 20 10 DHCDHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000248528625 1025967846 /nfs/dbraw/zinc/96/78/46/1025967846.db2.gz WGGGPJPFQKLBOA-CVEARBPZSA-N 1 3 316.489 3.654 20 10 DHCDHO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817945425 1029288508 /nfs/dbraw/zinc/28/85/08/1029288508.db2.gz CHRWAGRSNAUKKU-ZWKOTPCHSA-N 1 3 315.505 3.717 20 10 DHCDHO [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000817955278 1029294645 /nfs/dbraw/zinc/29/46/45/1029294645.db2.gz VAPMZSBUTHOFFX-QUCCMNQESA-N 1 3 324.468 3.655 20 10 DHCDHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817970523 1029312148 /nfs/dbraw/zinc/31/21/48/1029312148.db2.gz YVJRTYAVQCQXSR-BHYGNILZSA-N 1 3 319.468 3.737 20 10 DHCDHO C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000817985197 1029321986 /nfs/dbraw/zinc/32/19/86/1029321986.db2.gz GYOKJRYXZDHNER-PBHICJAKSA-N 1 3 314.473 3.596 20 10 DHCDHO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c(C)cc2[O-])[C@@H](C)C1 ZINC000824856240 1030653725 /nfs/dbraw/zinc/65/37/25/1030653725.db2.gz UKZTVLQZXCAQCB-BBRMVZONSA-N 1 3 310.869 3.516 20 10 DHCDHO CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c(C)cc2[O-])[C@@H](C)C1 ZINC000824856240 1030653738 /nfs/dbraw/zinc/65/37/38/1030653738.db2.gz UKZTVLQZXCAQCB-BBRMVZONSA-N 1 3 310.869 3.516 20 10 DHCDHO CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])[C@@H](C)C1 ZINC000824856240 1030653747 /nfs/dbraw/zinc/65/37/47/1030653747.db2.gz UKZTVLQZXCAQCB-BBRMVZONSA-N 1 3 310.869 3.516 20 10 DHCDHO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])[C@@H](C)C1 ZINC000824856240 1030653752 /nfs/dbraw/zinc/65/37/52/1030653752.db2.gz UKZTVLQZXCAQCB-BBRMVZONSA-N 1 3 310.869 3.516 20 10 DHCDHO COc1ccc([O-])c([C@H](C)[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000182346845 524768175 /nfs/dbraw/zinc/76/81/75/524768175.db2.gz ALTCVPUYIVNFKM-INIZCTEOSA-N 1 3 320.477 3.708 20 10 DHCDHO C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1[O-] ZINC000183390026 1022131265 /nfs/dbraw/zinc/13/12/65/1022131265.db2.gz PMUFTHVSQIHCME-INIZCTEOSA-N 1 3 310.441 3.839 20 10 DHCDHO C[C@@H](NCCC(C)(C)[NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000925742234 1023852536 /nfs/dbraw/zinc/85/25/36/1023852536.db2.gz ZZGWWYYIAKQFIX-CQSZACIVSA-N 1 3 307.457 3.594 20 10 DHCDHO C[C@@H](NCC(C)(C)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000790751745 1024364844 /nfs/dbraw/zinc/36/48/44/1024364844.db2.gz XAKWLJWARQQQAI-MRXNPFEDSA-N 1 3 303.494 3.525 20 10 DHCDHO CC[C@H](c1ccccc1[O-])[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367356509 1028172142 /nfs/dbraw/zinc/17/21/42/1028172142.db2.gz NOQYGAIODNCROT-QGZVFWFLSA-N 1 3 302.462 3.651 20 10 DHCDHO CC[C@H](c1ccccc1[O-])[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367356509 1028172148 /nfs/dbraw/zinc/17/21/48/1028172148.db2.gz NOQYGAIODNCROT-QGZVFWFLSA-N 1 3 302.462 3.651 20 10 DHCDHO CC[NH2+]CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817942794 1029282926 /nfs/dbraw/zinc/28/29/26/1029282926.db2.gz DYHLNDFKOLZGHV-IBGZPJMESA-N 1 3 312.457 3.655 20 10 DHCDHO C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000817962101 1029302103 /nfs/dbraw/zinc/30/21/03/1029302103.db2.gz GBRCQFRFAAZPJG-MKBNYLNASA-N 1 3 314.404 3.889 20 10 DHCDHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000817965170 1029304107 /nfs/dbraw/zinc/30/41/07/1029304107.db2.gz QMHLCPIXXCFAAV-MRXNPFEDSA-N 1 3 301.478 3.599 20 10 DHCDHO C[C@@H](CCC[NH3+])[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817977881 1029313634 /nfs/dbraw/zinc/31/36/34/1029313634.db2.gz QZQHVAWRVMTASZ-LPHOPBHVSA-N 1 3 312.457 3.783 20 10 DHCDHO CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(C)cc1[O-] ZINC000280196132 334115005 /nfs/dbraw/zinc/11/50/05/334115005.db2.gz SNTFETJDYGSIFF-GOSISDBHSA-N 1 3 302.462 3.616 20 10 DHCDHO CCC[N@@H+]1CC[C@@H](CN[C@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000246852731 1012055698 /nfs/dbraw/zinc/05/56/98/1012055698.db2.gz CQGWGMKBZXIAOL-QFBILLFUSA-N 1 3 303.494 3.525 20 10 DHCDHO CCC[N@H+]1CC[C@@H](CN[C@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000246852731 1012055717 /nfs/dbraw/zinc/05/57/17/1012055717.db2.gz CQGWGMKBZXIAOL-QFBILLFUSA-N 1 3 303.494 3.525 20 10 DHCDHO CCCN1CC[C@@H](C[NH2+][C@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000246852731 1012055729 /nfs/dbraw/zinc/05/57/29/1012055729.db2.gz CQGWGMKBZXIAOL-QFBILLFUSA-N 1 3 303.494 3.525 20 10 DHCDHO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1F ZINC000858133383 1032778189 /nfs/dbraw/zinc/77/81/89/1032778189.db2.gz UQDAQQALKHIIAC-INIZCTEOSA-N 1 3 321.484 3.634 20 10 DHCDHO C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1[O-] ZINC000183446974 1022148389 /nfs/dbraw/zinc/14/83/89/1022148389.db2.gz ICCDYRZJTIYMER-KRWDZBQOSA-N 1 3 324.468 3.955 20 10 DHCDHO Cc1cccc(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1O ZINC000179884433 1022574574 /nfs/dbraw/zinc/57/45/74/1022574574.db2.gz LEBWWXJRHRPJCH-SFHVURJKSA-N 1 3 316.489 3.645 20 10 DHCDHO C[NH+](C)CC1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000768302496 1022943433 /nfs/dbraw/zinc/94/34/33/1022943433.db2.gz MGDQXDDVKABYSU-UHFFFAOYSA-N 1 3 324.468 3.833 20 10 DHCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1[O-] ZINC000808692578 1026350034 /nfs/dbraw/zinc/35/00/34/1026350034.db2.gz RLEWTLMPHBYWKO-CYBMUJFWSA-N 1 3 310.869 3.737 20 10 DHCDHO [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000817945447 1029286982 /nfs/dbraw/zinc/28/69/82/1029286982.db2.gz DAIYLRVTNSLYPC-UYAOXDASSA-N 1 3 324.468 3.655 20 10 DHCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c1[O-] ZINC000817947585 1029287436 /nfs/dbraw/zinc/28/74/36/1029287436.db2.gz BNJPDGSMOWECJW-ZDUSSCGKSA-N 1 3 318.848 3.706 20 10 DHCDHO C[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817969004 1029306449 /nfs/dbraw/zinc/30/64/49/1029306449.db2.gz PBVNFMWHKNVRRT-HKUYNNGSSA-N 1 3 315.505 3.860 20 10 DHCDHO [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000817970538 1029309584 /nfs/dbraw/zinc/30/95/84/1029309584.db2.gz ZMVXYBJKUYXJQF-GGPKGHCWSA-N 1 3 324.468 3.926 20 10 DHCDHO C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cc(F)ccc1[O-] ZINC000817982838 1029320619 /nfs/dbraw/zinc/32/06/19/1029320619.db2.gz IJWOUKJVEKKJAI-DYVFJYSZSA-N 1 3 302.393 3.662 20 10 DHCDHO [NH3+][C@@H](C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)C1CCCC1 ZINC000873231715 1031767682 /nfs/dbraw/zinc/76/76/82/1031767682.db2.gz AYHVQWAPMROUGP-YJBOKZPZSA-N 1 3 302.462 3.512 20 10 DHCDHO [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)C1CCCC1 ZINC000873231715 1031767696 /nfs/dbraw/zinc/76/76/96/1031767696.db2.gz AYHVQWAPMROUGP-YJBOKZPZSA-N 1 3 302.462 3.512 20 10 DHCDHO Cc1c2ccccc2n(C)c1C[NH2+]C1CCN(CC(C)C)CC1 ZINC001177199099 1035353972 /nfs/dbraw/zinc/35/39/72/1035353972.db2.gz CZCRKJUYMOTVBG-UHFFFAOYSA-N 1 3 313.489 3.697 20 10 DHCDHO [O-]c1ccc2ccccc2c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204741898 1013311449 /nfs/dbraw/zinc/31/14/49/1013311449.db2.gz FDIWZJUCZRIATK-UHFFFAOYSA-N 1 3 310.441 3.511 20 10 DHCDHO [O-]c1ccc2ccccc2c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204741898 1013311453 /nfs/dbraw/zinc/31/14/53/1013311453.db2.gz FDIWZJUCZRIATK-UHFFFAOYSA-N 1 3 310.441 3.511 20 10 DHCDHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000185112529 1016577457 /nfs/dbraw/zinc/57/74/57/1016577457.db2.gz WGGGPJPFQKLBOA-HOTGVXAUSA-N 1 3 316.489 3.654 20 10 DHCDHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766167141 1019098915 /nfs/dbraw/zinc/09/89/15/1019098915.db2.gz SFNBUTQWFHCCRZ-JENIJYKNSA-N 1 3 315.505 3.810 20 10 DHCDHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766167141 1019098927 /nfs/dbraw/zinc/09/89/27/1019098927.db2.gz SFNBUTQWFHCCRZ-JENIJYKNSA-N 1 3 315.505 3.810 20 10 DHCDHO CC[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000177836345 1020820764 /nfs/dbraw/zinc/82/07/64/1020820764.db2.gz WNANOSDFGRBGRN-FQEVSTJZSA-N 1 3 317.521 3.914 20 10 DHCDHO CC[C@H](NC1CC[NH+](CC(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000177836345 1020820770 /nfs/dbraw/zinc/82/07/70/1020820770.db2.gz WNANOSDFGRBGRN-FQEVSTJZSA-N 1 3 317.521 3.914 20 10 DHCDHO CCCN(CCC)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000742374848 1021114032 /nfs/dbraw/zinc/11/40/32/1021114032.db2.gz IBRRLGJRAYCAFI-IEBWSBKVSA-N 1 3 317.521 3.885 20 10 DHCDHO CCCN(CCC)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000742374848 1021114044 /nfs/dbraw/zinc/11/40/44/1021114044.db2.gz IBRRLGJRAYCAFI-IEBWSBKVSA-N 1 3 317.521 3.885 20 10 DHCDHO Cc1cc(CNC2CC[NH+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000743644074 1021336986 /nfs/dbraw/zinc/33/69/86/1021336986.db2.gz ACVWUCJRDQNHRS-UHFFFAOYSA-N 1 3 311.473 3.586 20 10 DHCDHO CC[NH+](CC)CCCN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756340814 1021971094 /nfs/dbraw/zinc/97/10/94/1021971094.db2.gz JROIDGXXXDKVQW-OAHLLOKOSA-N 1 3 304.478 3.654 20 10 DHCDHO CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000183546482 1022185087 /nfs/dbraw/zinc/18/50/87/1022185087.db2.gz ZPSRTWSHYMWCKD-INIZCTEOSA-N 1 3 304.478 3.801 20 10 DHCDHO Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000272670386 1022511534 /nfs/dbraw/zinc/51/15/34/1022511534.db2.gz SVRBYKHLKWPPDE-FXAWDEMLSA-N 1 3 324.468 3.701 20 10 DHCDHO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000770505252 1023316026 /nfs/dbraw/zinc/31/60/26/1023316026.db2.gz LWMRZCHGKLVYFA-KRWDZBQOSA-N 1 3 316.489 3.869 20 10 DHCDHO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000770505252 1023316030 /nfs/dbraw/zinc/31/60/30/1023316030.db2.gz LWMRZCHGKLVYFA-KRWDZBQOSA-N 1 3 316.489 3.869 20 10 DHCDHO Cc1cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793769278 1025159518 /nfs/dbraw/zinc/15/95/18/1025159518.db2.gz UFWHHEPMJNXRJN-FQEVSTJZSA-N 1 3 316.489 3.526 20 10 DHCDHO Cc1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793769278 1025159521 /nfs/dbraw/zinc/15/95/21/1025159521.db2.gz UFWHHEPMJNXRJN-FQEVSTJZSA-N 1 3 316.489 3.526 20 10 DHCDHO CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(C)cc1[O-] ZINC000810252029 1026729671 /nfs/dbraw/zinc/72/96/71/1026729671.db2.gz GKCJYJSOFSMAGQ-MRXNPFEDSA-N 1 3 322.518 3.569 20 10 DHCDHO CCN(CC)c1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817889313 1029262247 /nfs/dbraw/zinc/26/22/47/1029262247.db2.gz SKHKAHKFEACUPI-HSALFYBXSA-N 1 3 315.505 3.543 20 10 DHCDHO [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1CC[NH2+]CC1 ZINC000817942433 1029286751 /nfs/dbraw/zinc/28/67/51/1029286751.db2.gz YOIITFNGPUTQHA-FQEVSTJZSA-N 1 3 324.468 3.655 20 10 DHCDHO C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817969005 1029308326 /nfs/dbraw/zinc/30/83/26/1029308326.db2.gz PBVNFMWHKNVRRT-IEBWSBKVSA-N 1 3 315.505 3.860 20 10 DHCDHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000151103832 1037725178 /nfs/dbraw/zinc/72/51/78/1037725178.db2.gz SAIAEUPVMFVMIS-IRXDYDNUSA-N 1 3 303.494 3.525 20 10 DHCDHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000151103832 1037725192 /nfs/dbraw/zinc/72/51/92/1037725192.db2.gz SAIAEUPVMFVMIS-IRXDYDNUSA-N 1 3 303.494 3.525 20 10 DHCDHO C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cc(F)ccc1[O-] ZINC000185036827 1016523273 /nfs/dbraw/zinc/52/32/73/1016523273.db2.gz NYXRZVFCOCSFPO-OAHLLOKOSA-N 1 3 308.441 3.694 20 10 DHCDHO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(N(C)C)cc1 ZINC000125856028 1033004130 /nfs/dbraw/zinc/00/41/30/1033004130.db2.gz KERPWVGPRIZUMR-XLIONFOSSA-N 1 3 317.521 3.914 20 10 DHCDHO CC[C@H](NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccc(N(C)C)cc1 ZINC000125856028 1033004136 /nfs/dbraw/zinc/00/41/36/1033004136.db2.gz KERPWVGPRIZUMR-XLIONFOSSA-N 1 3 317.521 3.914 20 10 DHCDHO CC[C@H](NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccc(N(C)C)cc1 ZINC000125856028 1033004147 /nfs/dbraw/zinc/00/41/47/1033004147.db2.gz KERPWVGPRIZUMR-XLIONFOSSA-N 1 3 317.521 3.914 20 10 DHCDHO CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000155172028 1022026126 /nfs/dbraw/zinc/02/61/26/1022026126.db2.gz RGBJAMGPTBHPOW-WMZOPIPTSA-N 1 3 304.478 3.945 20 10 DHCDHO CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000155172028 1022026146 /nfs/dbraw/zinc/02/61/46/1022026146.db2.gz RGBJAMGPTBHPOW-WMZOPIPTSA-N 1 3 304.478 3.945 20 10 DHCDHO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)c(O)c1C ZINC000790751151 1024371860 /nfs/dbraw/zinc/37/18/60/1024371860.db2.gz SKOYLKJXYZTGNP-MRXNPFEDSA-N 1 3 304.478 3.782 20 10 DHCDHO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000310167927 1024494573 /nfs/dbraw/zinc/49/45/73/1024494573.db2.gz SPAAPPAZLFVEPJ-PKOBYXMFSA-N 1 3 324.468 3.701 20 10 DHCDHO C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cc(F)ccc1[O-] ZINC000248490952 1025968278 /nfs/dbraw/zinc/96/82/78/1025968278.db2.gz IJERLEQERFCPBV-LSDHHAIUSA-N 1 3 308.441 3.837 20 10 DHCDHO C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cc(F)ccc1[O-] ZINC000248490952 1025968286 /nfs/dbraw/zinc/96/82/86/1025968286.db2.gz IJERLEQERFCPBV-LSDHHAIUSA-N 1 3 308.441 3.837 20 10 DHCDHO C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295814430 1027442390 /nfs/dbraw/zinc/44/23/90/1027442390.db2.gz CYTPILNWDMNZSH-NVXWUHKLSA-N 1 3 302.462 3.624 20 10 DHCDHO C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295814430 1027442397 /nfs/dbraw/zinc/44/23/97/1027442397.db2.gz CYTPILNWDMNZSH-NVXWUHKLSA-N 1 3 302.462 3.624 20 10 DHCDHO [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000817945445 1029288069 /nfs/dbraw/zinc/28/80/69/1029288069.db2.gz DAIYLRVTNSLYPC-ICSRJNTNSA-N 1 3 324.468 3.655 20 10 DHCDHO [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000817968823 1029309015 /nfs/dbraw/zinc/30/90/15/1029309015.db2.gz MYKUCSUKZMMKMS-ICSRJNTNSA-N 1 3 324.468 3.798 20 10 DHCDHO [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000817980622 1029316632 /nfs/dbraw/zinc/31/66/32/1029316632.db2.gz CSNJLYNXSCXOMZ-HBFSDRIKSA-N 1 3 324.468 3.783 20 10 DHCDHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(N2CCCCC2)c(F)c1 ZINC000818618924 1029421906 /nfs/dbraw/zinc/42/19/06/1029421906.db2.gz UUEMRBBUACRHSA-ZTFGCOKTSA-N 1 3 319.468 3.737 20 10 DHCDHO CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccccc1[O-] ZINC000927038571 1031046288 /nfs/dbraw/zinc/04/62/88/1031046288.db2.gz PJBKYTPNQUKXNM-URSIVYNOSA-N 1 3 302.462 3.840 20 10 DHCDHO CC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccccc1[O-] ZINC000927038568 1031046547 /nfs/dbraw/zinc/04/65/47/1031046547.db2.gz PJBKYTPNQUKXNM-RMXPPQQLSA-N 1 3 302.462 3.840 20 10 DHCDHO Cc1cc(Cl)cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1[O-] ZINC000775657768 1036261635 /nfs/dbraw/zinc/26/16/35/1036261635.db2.gz HRFGRPOSGBFCKA-UHFFFAOYSA-N 1 3 324.896 3.906 20 10 DHCDHO Cc1cc(Cl)cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1[O-] ZINC000775657768 1036261651 /nfs/dbraw/zinc/26/16/51/1036261651.db2.gz HRFGRPOSGBFCKA-UHFFFAOYSA-N 1 3 324.896 3.906 20 10 DHCDHO CN(C)c1ccc(CNC[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000377757674 337060186 /nfs/dbraw/zinc/06/01/86/337060186.db2.gz AIZJDMGEGGNQFS-TZIWHRDSSA-N 1 3 323.484 3.535 20 10 DHCDHO CN(C)c1ccc(CNC[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000377757674 337060187 /nfs/dbraw/zinc/06/01/87/337060187.db2.gz AIZJDMGEGGNQFS-TZIWHRDSSA-N 1 3 323.484 3.535 20 10 DHCDHO CCC[NH+]1CCC(N[C@H](CC)c2ccc(N(C)C)cc2)CC1 ZINC000161621201 1018275399 /nfs/dbraw/zinc/27/53/99/1018275399.db2.gz LRDIODPKPXRGFE-LJQANCHMSA-N 1 3 303.494 3.668 20 10 DHCDHO Cc1ccc([C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(O)c1C ZINC000756360844 1018967642 /nfs/dbraw/zinc/96/76/42/1018967642.db2.gz FBBXHTJNTAQICD-AWEZNQCLSA-N 1 3 304.478 3.969 20 10 DHCDHO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000766472729 1022122655 /nfs/dbraw/zinc/12/26/55/1022122655.db2.gz BCSPGSXRKCRPGA-KVSKMBFKSA-N 1 3 303.494 3.666 20 10 DHCDHO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000769405560 1023142835 /nfs/dbraw/zinc/14/28/35/1023142835.db2.gz XTTRUGHCENSYBV-IBGZPJMESA-N 1 3 317.521 3.697 20 10 DHCDHO CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000769405560 1023142839 /nfs/dbraw/zinc/14/28/39/1023142839.db2.gz XTTRUGHCENSYBV-IBGZPJMESA-N 1 3 317.521 3.697 20 10 DHCDHO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000769481888 1023151611 /nfs/dbraw/zinc/15/16/11/1023151611.db2.gz ANRPKFDXLQNIKQ-XLIONFOSSA-N 1 3 317.521 3.695 20 10 DHCDHO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000769481888 1023151613 /nfs/dbraw/zinc/15/16/13/1023151613.db2.gz ANRPKFDXLQNIKQ-XLIONFOSSA-N 1 3 317.521 3.695 20 10 DHCDHO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000310167923 1024494866 /nfs/dbraw/zinc/49/48/66/1024494866.db2.gz SPAAPPAZLFVEPJ-HKUYNNGSSA-N 1 3 324.468 3.701 20 10 DHCDHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817959435 1029301715 /nfs/dbraw/zinc/30/17/15/1029301715.db2.gz RGVDXZSNKKNOBE-QFBILLFUSA-N 1 3 303.494 3.701 20 10 DHCDHO C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cc(F)ccc1[O-] ZINC000817982839 1029319393 /nfs/dbraw/zinc/31/93/93/1029319393.db2.gz IJWOUKJVEKKJAI-GUYCJALGSA-N 1 3 302.393 3.662 20 10 DHCDHO C[C@H](NCc1ccc2c(c1)CCO2)c1cccc(C[NH+](C)C)c1 ZINC000924899794 1030221245 /nfs/dbraw/zinc/22/12/45/1030221245.db2.gz HOLUFYHRYGYPIN-HNNXBMFYSA-N 1 3 310.441 3.534 20 10 DHCDHO CC[C@@H](NCc1ccc(C[NH3+])cc1F)c1ccc(N(C)C)cc1 ZINC000844926112 1031403920 /nfs/dbraw/zinc/40/39/20/1031403920.db2.gz WIERMHSJEPCZCG-LJQANCHMSA-N 1 3 315.436 3.591 20 10 DHCDHO C[C@@H](NCCC[NH+](C)C)c1ccc(N2CCCCCC2)cc1 ZINC000151943279 1036741658 /nfs/dbraw/zinc/74/16/58/1036741658.db2.gz HXTHUVFJGUJHAZ-QGZVFWFLSA-N 1 3 303.494 3.669 20 10 DHCDHO CCC[N@@H+]1CC[C@@H](CN[C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000151117904 1037727059 /nfs/dbraw/zinc/72/70/59/1037727059.db2.gz CQGWGMKBZXIAOL-LPHOPBHVSA-N 1 3 303.494 3.525 20 10 DHCDHO CCC[N@H+]1CC[C@@H](CN[C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000151117904 1037727078 /nfs/dbraw/zinc/72/70/78/1037727078.db2.gz CQGWGMKBZXIAOL-LPHOPBHVSA-N 1 3 303.494 3.525 20 10 DHCDHO CCCN1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000151117904 1037727093 /nfs/dbraw/zinc/72/70/93/1037727093.db2.gz CQGWGMKBZXIAOL-LPHOPBHVSA-N 1 3 303.494 3.525 20 10 DHCDHO C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295814436 1013190215 /nfs/dbraw/zinc/19/02/15/1013190215.db2.gz CYTPILNWDMNZSH-WBVHZDCISA-N 1 3 302.462 3.624 20 10 DHCDHO C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295814436 1013190225 /nfs/dbraw/zinc/19/02/25/1013190225.db2.gz CYTPILNWDMNZSH-WBVHZDCISA-N 1 3 302.462 3.624 20 10 DHCDHO Cc1cc(CNC2CC[NH+](C3CC3)CC2)c(C)n1-c1ccccc1 ZINC000325114404 1017935490 /nfs/dbraw/zinc/93/54/90/1017935490.db2.gz KOWSXDBHKHATPT-UHFFFAOYSA-N 1 3 323.484 3.811 20 10 DHCDHO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000766472737 1022122503 /nfs/dbraw/zinc/12/25/03/1022122503.db2.gz BCSPGSXRKCRPGA-WDYCEAGBSA-N 1 3 303.494 3.666 20 10 DHCDHO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)c(O)c1C ZINC000853239111 1022240478 /nfs/dbraw/zinc/24/04/78/1022240478.db2.gz AFSNOHMGARPHOJ-AEFFLSMTSA-N 1 3 316.489 3.782 20 10 DHCDHO C[C@@H]([NH2+]CC1(N)CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000854222663 1022433023 /nfs/dbraw/zinc/43/30/23/1022433023.db2.gz JPYXMVSGQLQBPA-MRXNPFEDSA-N 1 3 301.478 3.599 20 10 DHCDHO Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1O ZINC000272670389 1022512164 /nfs/dbraw/zinc/51/21/64/1022512164.db2.gz SVRBYKHLKWPPDE-PXNSSMCTSA-N 1 3 324.468 3.701 20 10 DHCDHO C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1[O-] ZINC000248384037 1025954708 /nfs/dbraw/zinc/95/47/08/1025954708.db2.gz CGZOCYBAKQHYSF-IXDOHACOSA-N 1 3 304.478 3.801 20 10 DHCDHO C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1[O-] ZINC000248384037 1025954721 /nfs/dbraw/zinc/95/47/21/1025954721.db2.gz CGZOCYBAKQHYSF-IXDOHACOSA-N 1 3 304.478 3.801 20 10 DHCDHO C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cc(F)ccc1[O-] ZINC000248490949 1025967657 /nfs/dbraw/zinc/96/76/57/1025967657.db2.gz IJERLEQERFCPBV-HUUCEWRRSA-N 1 3 308.441 3.837 20 10 DHCDHO C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cc(F)ccc1[O-] ZINC000248490949 1025967668 /nfs/dbraw/zinc/96/76/68/1025967668.db2.gz IJERLEQERFCPBV-HUUCEWRRSA-N 1 3 308.441 3.837 20 10 DHCDHO CC(C)[C@H](N)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817959437 1029300333 /nfs/dbraw/zinc/30/03/33/1029300333.db2.gz RGVDXZSNKKNOBE-VQIMIIECSA-N 1 3 303.494 3.701 20 10 DHCDHO C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccccc1[O-] ZINC000183398350 1034383494 /nfs/dbraw/zinc/38/34/94/1034383494.db2.gz RQQAEKUHUYWSRC-INIZCTEOSA-N 1 3 310.441 3.839 20 10 DHCDHO C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cc(F)ccc1[O-] ZINC000185034071 1016523730 /nfs/dbraw/zinc/52/37/30/1016523730.db2.gz IJERLEQERFCPBV-GJZGRUSLSA-N 1 3 308.441 3.837 20 10 DHCDHO C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cc(F)ccc1[O-] ZINC000185034071 1016523741 /nfs/dbraw/zinc/52/37/41/1016523741.db2.gz IJERLEQERFCPBV-GJZGRUSLSA-N 1 3 308.441 3.837 20 10 DHCDHO CCN(C)c1ccc([C@H](C)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000765119280 1018477758 /nfs/dbraw/zinc/47/77/58/1018477758.db2.gz MSUKTAALQPVDAD-SJORKVTESA-N 1 3 303.494 3.525 20 10 DHCDHO CC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000766477089 1022123060 /nfs/dbraw/zinc/12/30/60/1022123060.db2.gz GCDAZGXMMOGUPH-QRQLOZEOSA-N 1 3 303.494 3.666 20 10 DHCDHO CC[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000766477089 1022123068 /nfs/dbraw/zinc/12/30/68/1022123068.db2.gz GCDAZGXMMOGUPH-QRQLOZEOSA-N 1 3 303.494 3.666 20 10 DHCDHO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000769470651 1023161767 /nfs/dbraw/zinc/16/17/67/1023161767.db2.gz NEBXSSDZPTXTAB-YLJYHZDGSA-N 1 3 317.521 3.837 20 10 DHCDHO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000769470651 1023161768 /nfs/dbraw/zinc/16/17/68/1023161768.db2.gz NEBXSSDZPTXTAB-YLJYHZDGSA-N 1 3 317.521 3.837 20 10 DHCDHO C[C@H](NCC(C)(C)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000790751743 1024363705 /nfs/dbraw/zinc/36/37/05/1024363705.db2.gz XAKWLJWARQQQAI-INIZCTEOSA-N 1 3 303.494 3.525 20 10 DHCDHO Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817934794 1029279778 /nfs/dbraw/zinc/27/97/78/1029279778.db2.gz PGJKFTNIYQMKRX-RVHYNSKXSA-N 1 3 323.484 3.726 20 10 DHCDHO [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1CC[NH2+]CC1 ZINC000817942434 1029287585 /nfs/dbraw/zinc/28/75/85/1029287585.db2.gz YOIITFNGPUTQHA-HXUWFJFHSA-N 1 3 324.468 3.655 20 10 DHCDHO C[C@H](CCC[NH3+])[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817977880 1029315205 /nfs/dbraw/zinc/31/52/05/1029315205.db2.gz QZQHVAWRVMTASZ-APWZRJJASA-N 1 3 312.457 3.783 20 10 DHCDHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000817985200 1029322259 /nfs/dbraw/zinc/32/22/59/1029322259.db2.gz GYOKJRYXZDHNER-YOEHRIQHSA-N 1 3 314.473 3.596 20 10 DHCDHO Cc1cc(C)c([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)c([O-])c1 ZINC000866518033 1030341331 /nfs/dbraw/zinc/34/13/31/1030341331.db2.gz RJRCCLDVHMSUCA-LYGPFTKASA-N 1 3 304.478 3.923 20 10 DHCDHO CCCOc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1C ZINC000873009668 1031689955 /nfs/dbraw/zinc/68/99/55/1031689955.db2.gz QVZDZERUGMQXPU-UHFFFAOYSA-N 1 3 302.462 3.500 20 10 DHCDHO [NH3+][C@@H](C[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1)C1CCCC1 ZINC000873231714 1031766128 /nfs/dbraw/zinc/76/61/28/1031766128.db2.gz AYHVQWAPMROUGP-QAPCUYQASA-N 1 3 302.462 3.512 20 10 DHCDHO [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)C1CCCC1 ZINC000873231714 1031766137 /nfs/dbraw/zinc/76/61/37/1031766137.db2.gz AYHVQWAPMROUGP-QAPCUYQASA-N 1 3 302.462 3.512 20 10 DHCDHO [NH3+][C@H](C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)C1CCCC1 ZINC000873231713 1031766738 /nfs/dbraw/zinc/76/67/38/1031766738.db2.gz AYHVQWAPMROUGP-MAUKXSAKSA-N 1 3 302.462 3.512 20 10 DHCDHO [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)C1CCCC1 ZINC000873231713 1031766747 /nfs/dbraw/zinc/76/67/47/1031766747.db2.gz AYHVQWAPMROUGP-MAUKXSAKSA-N 1 3 302.462 3.512 20 10 DHCDHO CC[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000178255383 1034224155 /nfs/dbraw/zinc/22/41/55/1034224155.db2.gz LFABQGZRVXZXMM-FQEVSTJZSA-N 1 3 315.505 3.668 20 10 DHCDHO Cc1ccc(O)c(CNC(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000775363529 1038275075 /nfs/dbraw/zinc/27/50/75/1038275075.db2.gz JJCWWUCTKUWLBF-UHFFFAOYSA-N 1 3 304.478 3.835 20 10 DHCDHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(N(C)C)cc1 ZINC000160468639 525401049 /nfs/dbraw/zinc/40/10/49/525401049.db2.gz PKNGHFDKMFAYAV-MRXNPFEDSA-N 1 3 315.505 3.810 20 10 DHCDHO Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c([O-])c1 ZINC000185034335 1016524590 /nfs/dbraw/zinc/52/45/90/1016524590.db2.gz HWQSBBHHHOFEOR-DLBZAZTESA-N 1 3 304.478 3.863 20 10 DHCDHO Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c([O-])c1 ZINC000185034335 1016524600 /nfs/dbraw/zinc/52/46/00/1016524600.db2.gz HWQSBBHHHOFEOR-DLBZAZTESA-N 1 3 304.478 3.863 20 10 DHCDHO Cc1cc(C)c([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c([O-])c1 ZINC000850581033 1021620007 /nfs/dbraw/zinc/62/00/07/1021620007.db2.gz CPTYITNGWURQHY-INIZCTEOSA-N 1 3 316.489 3.782 20 10 DHCDHO CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000155172142 1022026883 /nfs/dbraw/zinc/02/68/83/1022026883.db2.gz RGBJAMGPTBHPOW-FUHWJXTLSA-N 1 3 304.478 3.945 20 10 DHCDHO CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000155172142 1022026899 /nfs/dbraw/zinc/02/68/99/1022026899.db2.gz RGBJAMGPTBHPOW-FUHWJXTLSA-N 1 3 304.478 3.945 20 10 DHCDHO Cc1cc(C)c([C@@H](C)NC2CC([NH+]3CCCCC3)C2)c(O)c1 ZINC000788804509 1023936283 /nfs/dbraw/zinc/93/62/83/1023936283.db2.gz ILXGPZQWJOZIGV-KLAILNCOSA-N 1 3 302.462 3.677 20 10 DHCDHO CCC[NH+]1CCC(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000815576223 1028552670 /nfs/dbraw/zinc/55/26/70/1028552670.db2.gz MAUNORVIKXRDBQ-MRXNPFEDSA-N 1 3 304.478 3.782 20 10 DHCDHO CCN(CC)c1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817889320 1029263910 /nfs/dbraw/zinc/26/39/10/1029263910.db2.gz SKHKAHKFEACUPI-XUVXKRRUSA-N 1 3 315.505 3.543 20 10 DHCDHO C[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817945424 1029287491 /nfs/dbraw/zinc/28/74/91/1029287491.db2.gz CHRWAGRSNAUKKU-ROUUACIJSA-N 1 3 315.505 3.717 20 10 DHCDHO [NH3+]C1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000817947741 1029288010 /nfs/dbraw/zinc/28/80/10/1029288010.db2.gz PSFVBYQYBYRRSS-QLOJAFMTSA-N 1 3 324.468 3.926 20 10 DHCDHO CCC1([NH3+])CCN([C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000925760916 1030485043 /nfs/dbraw/zinc/48/50/43/1030485043.db2.gz UGQCGWWVENOSKY-CQSZACIVSA-N 1 3 302.462 3.535 20 10 DHCDHO CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185352730 1034542235 /nfs/dbraw/zinc/54/22/35/1034542235.db2.gz SURWGZCIALYUKZ-AWEZNQCLSA-N 1 3 316.420 3.834 20 10 DHCDHO CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185352730 1034542240 /nfs/dbraw/zinc/54/22/40/1034542240.db2.gz SURWGZCIALYUKZ-AWEZNQCLSA-N 1 3 316.420 3.834 20 10 DHCDHO CC[NH+](CC)Cc1ccccc1CNCc1ccc2c(c1)CCO2 ZINC000126976902 331999392 /nfs/dbraw/zinc/99/93/92/331999392.db2.gz NWVRXMGSDMNFSF-UHFFFAOYSA-N 1 3 324.468 3.753 20 10 DHCDHO C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cc(F)ccc1[O-] ZINC000185034053 1016523072 /nfs/dbraw/zinc/52/30/72/1016523072.db2.gz IJERLEQERFCPBV-CABCVRRESA-N 1 3 308.441 3.837 20 10 DHCDHO C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cc(F)ccc1[O-] ZINC000185034053 1016523082 /nfs/dbraw/zinc/52/30/82/1016523082.db2.gz IJERLEQERFCPBV-CABCVRRESA-N 1 3 308.441 3.837 20 10 DHCDHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000858490279 1032917569 /nfs/dbraw/zinc/91/75/69/1032917569.db2.gz DPFBQRRJPXGYFD-QFBILLFUSA-N 1 3 303.494 3.525 20 10 DHCDHO CC[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490279 1032917580 /nfs/dbraw/zinc/91/75/80/1032917580.db2.gz DPFBQRRJPXGYFD-QFBILLFUSA-N 1 3 303.494 3.525 20 10 DHCDHO CC[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490279 1032917594 /nfs/dbraw/zinc/91/75/94/1032917594.db2.gz DPFBQRRJPXGYFD-QFBILLFUSA-N 1 3 303.494 3.525 20 10 DHCDHO C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179568844 1022472476 /nfs/dbraw/zinc/47/24/76/1022472476.db2.gz VIHHXUCIBOGVIP-UHFFFAOYSA-N 1 3 324.468 3.736 20 10 DHCDHO C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179568844 1022472483 /nfs/dbraw/zinc/47/24/83/1022472483.db2.gz VIHHXUCIBOGVIP-UHFFFAOYSA-N 1 3 324.468 3.736 20 10 DHCDHO Cc1cc(C)c([C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)c(O)c1 ZINC000788736040 1023931989 /nfs/dbraw/zinc/93/19/89/1023931989.db2.gz CZCHXECWIVKFKI-IRXDYDNUSA-N 1 3 304.478 3.924 20 10 DHCDHO C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)c2c1c(F)ccc2[O-] ZINC000815647288 1028591670 /nfs/dbraw/zinc/59/16/70/1028591670.db2.gz FAWQDXVSZOTDSF-GDBMZVCRSA-N 1 3 320.452 3.935 20 10 DHCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c1[O-] ZINC000817947584 1029288468 /nfs/dbraw/zinc/28/84/68/1029288468.db2.gz BNJPDGSMOWECJW-CYBMUJFWSA-N 1 3 318.848 3.706 20 10 DHCDHO [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000817955279 1029293573 /nfs/dbraw/zinc/29/35/73/1029293573.db2.gz VAPMZSBUTHOFFX-UYAOXDASSA-N 1 3 324.468 3.655 20 10 DHCDHO [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000817980629 1029318451 /nfs/dbraw/zinc/31/84/51/1029318451.db2.gz CSNJLYNXSCXOMZ-WSTZPKSXSA-N 1 3 324.468 3.783 20 10 DHCDHO CC[C@@H](NC1CC[NH+](C(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000180404470 522808896 /nfs/dbraw/zinc/80/88/96/522808896.db2.gz GMUXGANOFQUNED-LJQANCHMSA-N 1 3 303.494 3.666 20 10 DHCDHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000185034441 1016523763 /nfs/dbraw/zinc/52/37/63/1016523763.db2.gz DTFPZPZEZBTXGJ-CABCVRRESA-N 1 3 308.441 3.694 20 10 DHCDHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000185034441 1016523769 /nfs/dbraw/zinc/52/37/69/1016523769.db2.gz DTFPZPZEZBTXGJ-CABCVRRESA-N 1 3 308.441 3.694 20 10 DHCDHO Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)c([O-])c1 ZINC000185036711 1016524657 /nfs/dbraw/zinc/52/46/57/1016524657.db2.gz XATIXZIMCOBDAQ-KRWDZBQOSA-N 1 3 304.478 3.863 20 10 DHCDHO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1F ZINC000858133384 1032778807 /nfs/dbraw/zinc/77/88/07/1032778807.db2.gz UQDAQQALKHIIAC-MRXNPFEDSA-N 1 3 321.484 3.634 20 10 DHCDHO C[C@@H](NCC[NH+]1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178307636 1021626589 /nfs/dbraw/zinc/62/65/89/1021626589.db2.gz IOZDVEZIBHMLSU-MRXNPFEDSA-N 1 3 319.468 3.562 20 10 DHCDHO CCN(CC)c1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000236914480 1025728591 /nfs/dbraw/zinc/72/85/91/1025728591.db2.gz ZTWGZYVOZBCGHF-UHFFFAOYSA-N 1 3 317.521 3.885 20 10 DHCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c1[O-] ZINC000817969192 1029308907 /nfs/dbraw/zinc/30/89/07/1029308907.db2.gz RNDCPQWVBGTPSD-GFCCVEGCSA-N 1 3 316.832 3.808 20 10 DHCDHO [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000817980625 1029317537 /nfs/dbraw/zinc/31/75/37/1029317537.db2.gz CSNJLYNXSCXOMZ-QWFCFKBJSA-N 1 3 324.468 3.783 20 10 DHCDHO C[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(C[NH+](C)C)c1 ZINC000924899797 1030221776 /nfs/dbraw/zinc/22/17/76/1030221776.db2.gz HOLUFYHRYGYPIN-OAHLLOKOSA-N 1 3 310.441 3.534 20 10 DHCDHO CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)c1ccc(C)cc1[O-] ZINC000794803676 1034491136 /nfs/dbraw/zinc/49/11/36/1034491136.db2.gz RPKCBHOMFNZOAT-GOSISDBHSA-N 1 3 304.478 3.863 20 10 DHCDHO CC[C@H](NC1CC[NH+](C(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000180404454 522560394 /nfs/dbraw/zinc/56/03/94/522560394.db2.gz GMUXGANOFQUNED-IBGZPJMESA-N 1 3 303.494 3.666 20 10 DHCDHO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001279474503 1014430666 /nfs/dbraw/zinc/43/06/66/1014430666.db2.gz ODXLFQOQZVIIPL-HXUWFJFHSA-N 1 3 316.489 3.607 20 10 DHCDHO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001279474503 1014430670 /nfs/dbraw/zinc/43/06/70/1014430670.db2.gz ODXLFQOQZVIIPL-HXUWFJFHSA-N 1 3 316.489 3.607 20 10 DHCDHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766167151 1019098688 /nfs/dbraw/zinc/09/86/88/1019098688.db2.gz SFNBUTQWFHCCRZ-ZIFCJYIRSA-N 1 3 315.505 3.810 20 10 DHCDHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766167151 1019098698 /nfs/dbraw/zinc/09/86/98/1019098698.db2.gz SFNBUTQWFHCCRZ-ZIFCJYIRSA-N 1 3 315.505 3.810 20 10 DHCDHO CCN(C)c1ccc([C@@H](C)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000858490437 1032918181 /nfs/dbraw/zinc/91/81/81/1032918181.db2.gz HIOZZVKZRDIFMZ-SJORKVTESA-N 1 3 303.494 3.525 20 10 DHCDHO CCN(C)c1ccc([C@@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000858490437 1032918190 /nfs/dbraw/zinc/91/81/90/1032918190.db2.gz HIOZZVKZRDIFMZ-SJORKVTESA-N 1 3 303.494 3.525 20 10 DHCDHO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000858490437 1032918200 /nfs/dbraw/zinc/91/82/00/1032918200.db2.gz HIOZZVKZRDIFMZ-SJORKVTESA-N 1 3 303.494 3.525 20 10 DHCDHO CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(C)cc1[O-] ZINC000850584018 1021624276 /nfs/dbraw/zinc/62/42/76/1021624276.db2.gz POFYKJHFWLVFBU-IBGZPJMESA-N 1 3 316.489 3.863 20 10 DHCDHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000766477087 1022122859 /nfs/dbraw/zinc/12/28/59/1022122859.db2.gz GCDAZGXMMOGUPH-NEWSRXKRSA-N 1 3 303.494 3.666 20 10 DHCDHO CC[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000766477087 1022122868 /nfs/dbraw/zinc/12/28/68/1022122868.db2.gz GCDAZGXMMOGUPH-NEWSRXKRSA-N 1 3 303.494 3.666 20 10 DHCDHO Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)c(O)c1 ZINC000788736042 1023932554 /nfs/dbraw/zinc/93/25/54/1023932554.db2.gz CZCHXECWIVKFKI-SJORKVTESA-N 1 3 304.478 3.924 20 10 DHCDHO C[N@H+](CCCN[C@@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000321050571 1024649884 /nfs/dbraw/zinc/64/98/84/1024649884.db2.gz XJXXQQLHMGBEFP-QGZVFWFLSA-N 1 3 302.462 3.624 20 10 DHCDHO C[N@@H+](CCCN[C@@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000321050571 1024649887 /nfs/dbraw/zinc/64/98/87/1024649887.db2.gz XJXXQQLHMGBEFP-QGZVFWFLSA-N 1 3 302.462 3.624 20 10 DHCDHO C[NH+]1CCC(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000729682953 1025927292 /nfs/dbraw/zinc/92/72/92/1025927292.db2.gz WZVFFCIHPHZSHE-UHFFFAOYSA-N 1 3 324.468 3.881 20 10 DHCDHO C[C@H]1C[C@H](N(C)Cc2ccc(N3CCCCC3)cc2)CC[N@@H+]1C ZINC000093643818 1026119680 /nfs/dbraw/zinc/11/96/80/1026119680.db2.gz GCEYNGOCJYGTGA-FXAWDEMLSA-N 1 3 315.505 3.591 20 10 DHCDHO C[C@H]1C[C@H](N(C)Cc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000093643818 1026119689 /nfs/dbraw/zinc/11/96/89/1026119689.db2.gz GCEYNGOCJYGTGA-FXAWDEMLSA-N 1 3 315.505 3.591 20 10 DHCDHO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[O-] ZINC000809757343 1026619066 /nfs/dbraw/zinc/61/90/66/1026619066.db2.gz YXHOCTPXEWFXAP-OAHLLOKOSA-N 1 3 322.880 3.518 20 10 DHCDHO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[O-] ZINC000809757343 1026619070 /nfs/dbraw/zinc/61/90/70/1026619070.db2.gz YXHOCTPXEWFXAP-OAHLLOKOSA-N 1 3 322.880 3.518 20 10 DHCDHO C[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)c2c1c(F)ccc2[O-] ZINC000815647289 1028592547 /nfs/dbraw/zinc/59/25/47/1028592547.db2.gz FAWQDXVSZOTDSF-GOEBONIOSA-N 1 3 320.452 3.935 20 10 DHCDHO [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000817945444 1029285938 /nfs/dbraw/zinc/28/59/38/1029285938.db2.gz DAIYLRVTNSLYPC-AZUAARDMSA-N 1 3 324.468 3.655 20 10 DHCDHO [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000817955276 1029295919 /nfs/dbraw/zinc/29/59/19/1029295919.db2.gz VAPMZSBUTHOFFX-AZUAARDMSA-N 1 3 324.468 3.655 20 10 DHCDHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817959433 1029299714 /nfs/dbraw/zinc/29/97/14/1029299714.db2.gz RGVDXZSNKKNOBE-LPHOPBHVSA-N 1 3 303.494 3.701 20 10 DHCDHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817970525 1029310854 /nfs/dbraw/zinc/31/08/54/1029310854.db2.gz YVJRTYAVQCQXSR-USXIJHARSA-N 1 3 319.468 3.737 20 10 DHCDHO CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)c1ccc(C)cc1[O-] ZINC000794803677 1034491608 /nfs/dbraw/zinc/49/16/08/1034491608.db2.gz RPKCBHOMFNZOAT-SFHVURJKSA-N 1 3 304.478 3.863 20 10 DHCDHO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000125775342 1032969911 /nfs/dbraw/zinc/96/99/11/1032969911.db2.gz NUKDMQHPCQVNDV-MSOLQXFVSA-N 1 3 317.521 3.914 20 10 DHCDHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(N(C)C)cc1 ZINC000125855843 1033005187 /nfs/dbraw/zinc/00/51/87/1033005187.db2.gz KERPWVGPRIZUMR-FXAWDEMLSA-N 1 3 317.521 3.914 20 10 DHCDHO CC[C@@H](NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccc(N(C)C)cc1 ZINC000125855843 1033005199 /nfs/dbraw/zinc/00/51/99/1033005199.db2.gz KERPWVGPRIZUMR-FXAWDEMLSA-N 1 3 317.521 3.914 20 10 DHCDHO CC[C@@H](NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccc(N(C)C)cc1 ZINC000125855843 1033005214 /nfs/dbraw/zinc/00/52/14/1033005214.db2.gz KERPWVGPRIZUMR-FXAWDEMLSA-N 1 3 317.521 3.914 20 10 DHCDHO Cc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000310167926 1024493774 /nfs/dbraw/zinc/49/37/74/1024493774.db2.gz SPAAPPAZLFVEPJ-MJGOQNOKSA-N 1 3 324.468 3.701 20 10 DHCDHO C[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)c2c1c(F)ccc2[O-] ZINC000815647291 1028591782 /nfs/dbraw/zinc/59/17/82/1028591782.db2.gz FAWQDXVSZOTDSF-ZBFHGGJFSA-N 1 3 320.452 3.935 20 10 DHCDHO C[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)c2c1c(F)ccc2[O-] ZINC000815647290 1028592377 /nfs/dbraw/zinc/59/23/77/1028592377.db2.gz FAWQDXVSZOTDSF-HOCLYGCPSA-N 1 3 320.452 3.935 20 10 DHCDHO [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000925881930 1030532938 /nfs/dbraw/zinc/53/29/38/1030532938.db2.gz HSPUKHJVXZVSKM-NLWGTHIKSA-N 1 3 324.468 3.783 20 10 DHCDHO [NH3+]CC1(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000844919008 1031400459 /nfs/dbraw/zinc/40/04/59/1031400459.db2.gz AWBOGFMHILZTEN-LJQANCHMSA-N 1 3 324.468 3.785 20 10 DHCDHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000858490278 1032916070 /nfs/dbraw/zinc/91/60/70/1032916070.db2.gz DPFBQRRJPXGYFD-LPHOPBHVSA-N 1 3 303.494 3.525 20 10 DHCDHO CC[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490278 1032916078 /nfs/dbraw/zinc/91/60/78/1032916078.db2.gz DPFBQRRJPXGYFD-LPHOPBHVSA-N 1 3 303.494 3.525 20 10 DHCDHO CC[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490278 1032916092 /nfs/dbraw/zinc/91/60/92/1032916092.db2.gz DPFBQRRJPXGYFD-LPHOPBHVSA-N 1 3 303.494 3.525 20 10 DHCDHO CC[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccc1[O-] ZINC000155174518 1022028510 /nfs/dbraw/zinc/02/85/10/1022028510.db2.gz DRLAOFVUPKDVOD-SFHVURJKSA-N 1 3 304.478 3.945 20 10 DHCDHO CC[N@H+](CCC1CC[NH+](Cc2ccccc2[O-])CC1)CC1CC1 ZINC000779045619 1028035614 /nfs/dbraw/zinc/03/56/14/1028035614.db2.gz PUJZOSSUJXUPNH-UHFFFAOYSA-N 1 3 316.489 3.726 20 10 DHCDHO CC[N@@H+](CCC1CC[NH+](Cc2ccccc2[O-])CC1)CC1CC1 ZINC000779045619 1028035630 /nfs/dbraw/zinc/03/56/30/1028035630.db2.gz PUJZOSSUJXUPNH-UHFFFAOYSA-N 1 3 316.489 3.726 20 10 DHCDHO C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cc(F)ccc1[O-] ZINC000817982837 1029319804 /nfs/dbraw/zinc/31/98/04/1029319804.db2.gz IJWOUKJVEKKJAI-CXAGYDPISA-N 1 3 302.393 3.662 20 10 DHCDHO CN(C)c1ccc(CNC[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000377757670 337060253 /nfs/dbraw/zinc/06/02/53/337060253.db2.gz AIZJDMGEGGNQFS-FPOVZHCZSA-N 1 3 323.484 3.535 20 10 DHCDHO CN(C)c1ccc(CNC[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000377757670 337060254 /nfs/dbraw/zinc/06/02/54/337060254.db2.gz AIZJDMGEGGNQFS-FPOVZHCZSA-N 1 3 323.484 3.535 20 10 DHCDHO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000247034324 1016694980 /nfs/dbraw/zinc/69/49/80/1016694980.db2.gz NUKDMQHPCQVNDV-QZTJIDSGSA-N 1 3 317.521 3.914 20 10 DHCDHO C[C@@H](CC[NH+](C)C)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765449466 1018789981 /nfs/dbraw/zinc/78/99/81/1018789981.db2.gz KZEMOCOPFMSKCY-IRXDYDNUSA-N 1 3 303.494 3.668 20 10 DHCDHO CCN(C)c1ccc([C@H](C)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000858490434 1032919134 /nfs/dbraw/zinc/91/91/34/1032919134.db2.gz HIOZZVKZRDIFMZ-DLBZAZTESA-N 1 3 303.494 3.525 20 10 DHCDHO CCN(C)c1ccc([C@H](C)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000858490434 1032919146 /nfs/dbraw/zinc/91/91/46/1032919146.db2.gz HIOZZVKZRDIFMZ-DLBZAZTESA-N 1 3 303.494 3.525 20 10 DHCDHO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000858490434 1032919155 /nfs/dbraw/zinc/91/91/55/1032919155.db2.gz HIOZZVKZRDIFMZ-DLBZAZTESA-N 1 3 303.494 3.525 20 10 DHCDHO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000766472734 1022123024 /nfs/dbraw/zinc/12/30/24/1022123024.db2.gz BCSPGSXRKCRPGA-VDZJLULYSA-N 1 3 303.494 3.666 20 10 DHCDHO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000769470648 1023161874 /nfs/dbraw/zinc/16/18/74/1023161874.db2.gz NEBXSSDZPTXTAB-FXAWDEMLSA-N 1 3 317.521 3.837 20 10 DHCDHO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000769470648 1023161875 /nfs/dbraw/zinc/16/18/75/1023161875.db2.gz NEBXSSDZPTXTAB-FXAWDEMLSA-N 1 3 317.521 3.837 20 10 DHCDHO C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295814433 1027443175 /nfs/dbraw/zinc/44/31/75/1027443175.db2.gz CYTPILNWDMNZSH-RDJZCZTQSA-N 1 3 302.462 3.624 20 10 DHCDHO C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295814433 1027443178 /nfs/dbraw/zinc/44/31/78/1027443178.db2.gz CYTPILNWDMNZSH-RDJZCZTQSA-N 1 3 302.462 3.624 20 10 DHCDHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000813879193 1027750574 /nfs/dbraw/zinc/75/05/74/1027750574.db2.gz SYENLHDPFJCATA-JKSUJKDBSA-N 1 3 321.484 3.664 20 10 DHCDHO CC[NH2+]CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817942796 1029283849 /nfs/dbraw/zinc/28/38/49/1029283849.db2.gz DYHLNDFKOLZGHV-LJQANCHMSA-N 1 3 312.457 3.655 20 10 DHCDHO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000817948055 1029292211 /nfs/dbraw/zinc/29/22/11/1029292211.db2.gz TXPRLHLKHIIYKD-JENIJYKNSA-N 1 3 315.505 3.716 20 10 DHCDHO C[C@@H](NC1CC[NH+](C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000161429154 525402228 /nfs/dbraw/zinc/40/22/28/525402228.db2.gz QHCUBUNAEGSPIV-OAHLLOKOSA-N 1 3 319.468 3.561 20 10 DHCDHO CCCN(CCC)c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000742374850 1021114562 /nfs/dbraw/zinc/11/45/62/1021114562.db2.gz IBRRLGJRAYCAFI-PKOBYXMFSA-N 1 3 317.521 3.885 20 10 DHCDHO CCCN(CCC)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000742374850 1021114565 /nfs/dbraw/zinc/11/45/65/1021114565.db2.gz IBRRLGJRAYCAFI-PKOBYXMFSA-N 1 3 317.521 3.885 20 10 DHCDHO C[C@H](NCC[NH+]1CCCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178307622 1021627041 /nfs/dbraw/zinc/62/70/41/1021627041.db2.gz IOZDVEZIBHMLSU-INIZCTEOSA-N 1 3 319.468 3.562 20 10 DHCDHO C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1[O-] ZINC000183423056 1022346717 /nfs/dbraw/zinc/34/67/17/1022346717.db2.gz CGZOCYBAKQHYSF-ZACQAIPSSA-N 1 3 304.478 3.801 20 10 DHCDHO CC[NH+](CC)CCCC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000180791140 1022819125 /nfs/dbraw/zinc/81/91/25/1022819125.db2.gz USHZQTPAYMAWJR-UHFFFAOYSA-N 1 3 304.478 3.726 20 10 DHCDHO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)CN(C)C ZINC000813879190 1027751473 /nfs/dbraw/zinc/75/14/73/1027751473.db2.gz SYENLHDPFJCATA-CVEARBPZSA-N 1 3 321.484 3.664 20 10 DHCDHO [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000817955277 1029293790 /nfs/dbraw/zinc/29/37/90/1029293790.db2.gz VAPMZSBUTHOFFX-ICSRJNTNSA-N 1 3 324.468 3.655 20 10 DHCDHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000817985198 1029324535 /nfs/dbraw/zinc/32/45/35/1029324535.db2.gz GYOKJRYXZDHNER-RHSMWYFYSA-N 1 3 314.473 3.596 20 10 DHCDHO CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297581081 132024048 /nfs/dbraw/zinc/02/40/48/132024048.db2.gz HDAMJPXCSCCIBR-GOSISDBHSA-N 1 3 310.441 3.621 20 10 DHCDHO CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297581081 132024050 /nfs/dbraw/zinc/02/40/50/132024050.db2.gz HDAMJPXCSCCIBR-GOSISDBHSA-N 1 3 310.441 3.621 20 10 DHCDHO COc1ccc([O-])c([C@@H](C)[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000182346859 524763641 /nfs/dbraw/zinc/76/36/41/524763641.db2.gz ALTCVPUYIVNFKM-MRXNPFEDSA-N 1 3 320.477 3.708 20 10 DHCDHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC000065976504 1014615986 /nfs/dbraw/zinc/61/59/86/1014615986.db2.gz PGZICLJMMSZNMW-UHFFFAOYSA-N 1 3 324.468 3.752 20 10 DHCDHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC000065976504 1014615990 /nfs/dbraw/zinc/61/59/90/1014615990.db2.gz PGZICLJMMSZNMW-UHFFFAOYSA-N 1 3 324.468 3.752 20 10 DHCDHO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000766472727 1022123155 /nfs/dbraw/zinc/12/31/55/1022123155.db2.gz BCSPGSXRKCRPGA-IEZWGBDMSA-N 1 3 303.494 3.666 20 10 DHCDHO C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1[O-] ZINC000183390053 1022131760 /nfs/dbraw/zinc/13/17/60/1022131760.db2.gz PMUFTHVSQIHCME-MRXNPFEDSA-N 1 3 310.441 3.839 20 10 DHCDHO CCN(CC)c1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000266141109 1022288288 /nfs/dbraw/zinc/28/82/88/1022288288.db2.gz HGBPGAUPBHPVKQ-CTXDPNEZSA-N 1 3 315.505 3.638 20 10 DHCDHO CCN(CC)c1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000266141109 1022288296 /nfs/dbraw/zinc/28/82/96/1022288296.db2.gz HGBPGAUPBHPVKQ-CTXDPNEZSA-N 1 3 315.505 3.638 20 10 DHCDHO CCN(C)c1ccc([C@H](C)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000180406459 1022714453 /nfs/dbraw/zinc/71/44/53/1022714453.db2.gz AGOAWNWUMMTFIR-INIZCTEOSA-N 1 3 303.494 3.666 20 10 DHCDHO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)c(O)c1C ZINC000756546547 1022887633 /nfs/dbraw/zinc/88/76/33/1022887633.db2.gz RSJDRJPJCHARLL-IAGOWNOFSA-N 1 3 304.478 3.780 20 10 DHCDHO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c(O)c1C ZINC000756546548 1022890322 /nfs/dbraw/zinc/89/03/22/1022890322.db2.gz RSJDRJPJCHARLL-IRXDYDNUSA-N 1 3 304.478 3.780 20 10 DHCDHO CC[NH+]1CCC(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000729682148 1025928719 /nfs/dbraw/zinc/92/87/19/1025928719.db2.gz NVWDQGXHWZMEIJ-UHFFFAOYSA-N 1 3 324.468 3.881 20 10 DHCDHO [NH3+]C1CCC([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000817947740 1029286015 /nfs/dbraw/zinc/28/60/15/1029286015.db2.gz PSFVBYQYBYRRSS-AFMYVXGZSA-N 1 3 324.468 3.926 20 10 DHCDHO C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000817962100 1029301170 /nfs/dbraw/zinc/30/11/70/1029301170.db2.gz GBRCQFRFAAZPJG-BFQNTYOBSA-N 1 3 314.404 3.889 20 10 DHCDHO CCC1([NH3+])CCN([C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000925759160 1030485338 /nfs/dbraw/zinc/48/53/38/1030485338.db2.gz KZAMKBCANRRZEV-QGZVFWFLSA-N 1 3 315.505 3.941 20 10 DHCDHO CC[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(C)cc1[O-] ZINC000925883508 1030535471 /nfs/dbraw/zinc/53/54/71/1030535471.db2.gz ZHHYQEJVVHJKQY-QFUCXCTJSA-N 1 3 324.468 3.800 20 10 DHCDHO [NH3+]CC1(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000844919007 1031401994 /nfs/dbraw/zinc/40/19/94/1031401994.db2.gz AWBOGFMHILZTEN-IBGZPJMESA-N 1 3 324.468 3.785 20 10 DHCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1[O-] ZINC000844925251 1031404108 /nfs/dbraw/zinc/40/41/08/1031404108.db2.gz SPLODHOFDCUOGF-LLVKDONJSA-N 1 3 322.811 3.803 20 10 DHCDHO C[NH2+]Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000844924345 1031404174 /nfs/dbraw/zinc/40/41/74/1031404174.db2.gz OXTKYYHCDHSQFC-WBMJQRKESA-N 1 3 314.404 3.589 20 10 DHCDHO CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(C)cc1[O-] ZINC000873236017 1031767634 /nfs/dbraw/zinc/76/76/34/1031767634.db2.gz SWZCMLBVXDPAGF-IBGZPJMESA-N 1 3 310.441 3.587 20 10 DHCDHO CCC[NH+]1CCC(C[NH2+][C@@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000794810499 1034505387 /nfs/dbraw/zinc/50/53/87/1034505387.db2.gz TWOFBIUCKIEFMO-SFHVURJKSA-N 1 3 304.478 3.863 20 10 DHCDHO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1C(C)C ZINC000164680724 1038268316 /nfs/dbraw/zinc/26/83/16/1038268316.db2.gz QTKOQFAEIXDZJA-VQIMIIECSA-N 1 3 316.489 3.740 20 10 DHCDHO Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1C(C)C ZINC000164680724 1038268325 /nfs/dbraw/zinc/26/83/25/1038268325.db2.gz QTKOQFAEIXDZJA-VQIMIIECSA-N 1 3 316.489 3.740 20 10 DHCDHO CCCN(CCC)c1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000742374847 1021114706 /nfs/dbraw/zinc/11/47/06/1021114706.db2.gz IBRRLGJRAYCAFI-HKUYNNGSSA-N 1 3 317.521 3.885 20 10 DHCDHO CCCN(CCC)c1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000742374847 1021114710 /nfs/dbraw/zinc/11/47/10/1021114710.db2.gz IBRRLGJRAYCAFI-HKUYNNGSSA-N 1 3 317.521 3.885 20 10 DHCDHO CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccc1[O-] ZINC000850582149 1021622464 /nfs/dbraw/zinc/62/24/64/1021622464.db2.gz ICKPLWTWCMQNKH-SFHVURJKSA-N 1 3 302.462 3.555 20 10 DHCDHO CN(C)c1ccc(CNC[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000377757668 1021850653 /nfs/dbraw/zinc/85/06/53/1021850653.db2.gz AIZJDMGEGGNQFS-CTNGQTDRSA-N 1 3 323.484 3.535 20 10 DHCDHO CN(C)c1ccc(CNC[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000377757668 1021850668 /nfs/dbraw/zinc/85/06/68/1021850668.db2.gz AIZJDMGEGGNQFS-CTNGQTDRSA-N 1 3 323.484 3.535 20 10 DHCDHO C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1[O-] ZINC000183446996 1022147478 /nfs/dbraw/zinc/14/74/78/1022147478.db2.gz ICCDYRZJTIYMER-QGZVFWFLSA-N 1 3 324.468 3.955 20 10 DHCDHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000854230373 1022435947 /nfs/dbraw/zinc/43/59/47/1022435947.db2.gz NYMGUOCMUXOGEU-VQIMIIECSA-N 1 3 303.494 3.701 20 10 DHCDHO COc1cccc(CNC(C)(C)CC[NH+]2CCCCCC2)c1O ZINC000185158698 1022462820 /nfs/dbraw/zinc/46/28/20/1022462820.db2.gz YHMYDKMYZADFJT-UHFFFAOYSA-N 1 3 320.477 3.535 20 10 DHCDHO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000769481887 1023152967 /nfs/dbraw/zinc/15/29/67/1023152967.db2.gz ANRPKFDXLQNIKQ-PXNSSMCTSA-N 1 3 317.521 3.695 20 10 DHCDHO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000769481887 1023152971 /nfs/dbraw/zinc/15/29/71/1023152971.db2.gz ANRPKFDXLQNIKQ-PXNSSMCTSA-N 1 3 317.521 3.695 20 10 DHCDHO Cc1cc(Cl)cc(C[NH2+]CCCCC[NH+]2CCCC2)c1[O-] ZINC000816644458 1028971276 /nfs/dbraw/zinc/97/12/76/1028971276.db2.gz NHGVKUMLYMESAP-UHFFFAOYSA-N 1 3 310.869 3.710 20 10 DHCDHO C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cc(F)ccc1[O-] ZINC000817982840 1029319779 /nfs/dbraw/zinc/31/97/79/1029319779.db2.gz IJWOUKJVEKKJAI-SUMWQHHRSA-N 1 3 302.393 3.662 20 10 DHCDHO C[C@H]1C[C@@H](N(C)Cc2ccc(N3CCCCC3)cc2)CC[N@@H+]1C ZINC000093643820 193280097 /nfs/dbraw/zinc/28/00/97/193280097.db2.gz GCEYNGOCJYGTGA-PXNSSMCTSA-N 1 3 315.505 3.591 20 10 DHCDHO C[C@H]1C[C@@H](N(C)Cc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000093643820 193280099 /nfs/dbraw/zinc/28/00/99/193280099.db2.gz GCEYNGOCJYGTGA-PXNSSMCTSA-N 1 3 315.505 3.591 20 10 DHCDHO CC[C@@H](c1ccccc1[O-])[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000317464950 331808854 /nfs/dbraw/zinc/80/88/54/331808854.db2.gz YONSLMAPGFNKFA-SFHVURJKSA-N 1 3 302.462 3.651 20 10 DHCDHO CC[NH+]1CCC(N[C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000159313619 521579603 /nfs/dbraw/zinc/57/96/03/521579603.db2.gz ZCGQCLFZOMLXIT-KRWDZBQOSA-N 1 3 315.505 3.812 20 10 DHCDHO Cc1cc(C)c(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(O)c1 ZINC001167973442 1013406120 /nfs/dbraw/zinc/40/61/20/1013406120.db2.gz KYZONUCCVQEVOO-AYHJJNSGSA-N 1 3 314.473 3.504 20 10 DHCDHO Cc1cc(C)c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(O)c1 ZINC001167973442 1013406128 /nfs/dbraw/zinc/40/61/28/1013406128.db2.gz KYZONUCCVQEVOO-AYHJJNSGSA-N 1 3 314.473 3.504 20 10 DHCDHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000185112507 1016578191 /nfs/dbraw/zinc/57/81/91/1016578191.db2.gz WGGGPJPFQKLBOA-JKSUJKDBSA-N 1 3 316.489 3.654 20 10 DHCDHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000125795328 1032720503 /nfs/dbraw/zinc/72/05/03/1032720503.db2.gz BALSMSSJHYCCGY-DLBZAZTESA-N 1 3 303.494 3.524 20 10 DHCDHO CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000177836355 1020820528 /nfs/dbraw/zinc/82/05/28/1020820528.db2.gz WNANOSDFGRBGRN-HXUWFJFHSA-N 1 3 317.521 3.914 20 10 DHCDHO CC[C@@H](NC1CC[NH+](CC(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000177836355 1020820534 /nfs/dbraw/zinc/82/05/34/1020820534.db2.gz WNANOSDFGRBGRN-HXUWFJFHSA-N 1 3 317.521 3.914 20 10 DHCDHO CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(C)cc1[O-] ZINC000850584020 1021624358 /nfs/dbraw/zinc/62/43/58/1021624358.db2.gz POFYKJHFWLVFBU-LJQANCHMSA-N 1 3 316.489 3.863 20 10 DHCDHO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000769470650 1023160887 /nfs/dbraw/zinc/16/08/87/1023160887.db2.gz NEBXSSDZPTXTAB-XLIONFOSSA-N 1 3 317.521 3.837 20 10 DHCDHO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000769470650 1023160890 /nfs/dbraw/zinc/16/08/90/1023160890.db2.gz NEBXSSDZPTXTAB-XLIONFOSSA-N 1 3 317.521 3.837 20 10 DHCDHO C[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCCCC3)cc2)CC[N@@H+]1C ZINC000093643819 1026121045 /nfs/dbraw/zinc/12/10/45/1026121045.db2.gz GCEYNGOCJYGTGA-XLIONFOSSA-N 1 3 315.505 3.591 20 10 DHCDHO C[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000093643819 1026121055 /nfs/dbraw/zinc/12/10/55/1026121055.db2.gz GCEYNGOCJYGTGA-XLIONFOSSA-N 1 3 315.505 3.591 20 10 DHCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1[O-] ZINC000808692580 1026349438 /nfs/dbraw/zinc/34/94/38/1026349438.db2.gz RLEWTLMPHBYWKO-ZDUSSCGKSA-N 1 3 310.869 3.737 20 10 DHCDHO CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccc(C)cc1[O-] ZINC000810252028 1026728926 /nfs/dbraw/zinc/72/89/26/1026728926.db2.gz GKCJYJSOFSMAGQ-INIZCTEOSA-N 1 3 322.518 3.569 20 10 DHCDHO CCC[NH+]1CCC(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000815576222 1028549450 /nfs/dbraw/zinc/54/94/50/1028549450.db2.gz MAUNORVIKXRDBQ-INIZCTEOSA-N 1 3 304.478 3.782 20 10 DHCDHO C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000817948058 1029292126 /nfs/dbraw/zinc/29/21/26/1029292126.db2.gz TXPRLHLKHIIYKD-YQVWRLOYSA-N 1 3 315.505 3.716 20 10 DHCDHO C[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817969007 1029307496 /nfs/dbraw/zinc/30/74/96/1029307496.db2.gz PBVNFMWHKNVRRT-PKOBYXMFSA-N 1 3 315.505 3.860 20 10 DHCDHO C[C@@H](CCC[NH3+])[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817977882 1029312764 /nfs/dbraw/zinc/31/27/64/1029312764.db2.gz QZQHVAWRVMTASZ-QFBILLFUSA-N 1 3 312.457 3.783 20 10 DHCDHO CCC[N@@H+]1CC[C@H](CN[C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000151117838 1037726274 /nfs/dbraw/zinc/72/62/74/1037726274.db2.gz CQGWGMKBZXIAOL-APWZRJJASA-N 1 3 303.494 3.525 20 10 DHCDHO CCC[N@H+]1CC[C@H](CN[C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000151117838 1037726291 /nfs/dbraw/zinc/72/62/91/1037726291.db2.gz CQGWGMKBZXIAOL-APWZRJJASA-N 1 3 303.494 3.525 20 10 DHCDHO CCCN1CC[C@H](C[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000151117838 1037726328 /nfs/dbraw/zinc/72/63/28/1037726328.db2.gz CQGWGMKBZXIAOL-APWZRJJASA-N 1 3 303.494 3.525 20 10 DHCDHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(cc1O)CCCC2 ZINC000363845188 525571287 /nfs/dbraw/zinc/57/12/87/525571287.db2.gz AQLHAUFAKJRSPL-QGTPRVQTSA-N 1 3 314.473 3.548 20 10 DHCDHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2c(cc1O)CCCC2 ZINC000363845188 525571296 /nfs/dbraw/zinc/57/12/96/525571296.db2.gz AQLHAUFAKJRSPL-QGTPRVQTSA-N 1 3 314.473 3.548 20 10 DHCDHO CC[N@H+](C)Cc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921685849 1020441694 /nfs/dbraw/zinc/44/16/94/1020441694.db2.gz AYZWAYFUYYHIBL-UHFFFAOYSA-N 1 3 324.468 3.753 20 10 DHCDHO CC[N@@H+](C)Cc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921685849 1020441703 /nfs/dbraw/zinc/44/17/03/1020441703.db2.gz AYZWAYFUYYHIBL-UHFFFAOYSA-N 1 3 324.468 3.753 20 10 DHCDHO CC[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccc1[O-] ZINC000155174618 1022029079 /nfs/dbraw/zinc/02/90/79/1022029079.db2.gz DRLAOFVUPKDVOD-GOSISDBHSA-N 1 3 304.478 3.945 20 10 DHCDHO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)c(O)c1C ZINC000853239114 1022238892 /nfs/dbraw/zinc/23/88/92/1022238892.db2.gz AFSNOHMGARPHOJ-WMZOPIPTSA-N 1 3 316.489 3.782 20 10 DHCDHO Cc1cccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1O ZINC000272670392 1022511863 /nfs/dbraw/zinc/51/18/63/1022511863.db2.gz SVRBYKHLKWPPDE-XLIONFOSSA-N 1 3 324.468 3.701 20 10 DHCDHO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1[O-] ZINC000809757340 1026618579 /nfs/dbraw/zinc/61/85/79/1026618579.db2.gz YXHOCTPXEWFXAP-HNNXBMFYSA-N 1 3 322.880 3.518 20 10 DHCDHO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1[O-] ZINC000809757340 1026618587 /nfs/dbraw/zinc/61/85/87/1026618587.db2.gz YXHOCTPXEWFXAP-HNNXBMFYSA-N 1 3 322.880 3.518 20 10 DHCDHO C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295814426 1027441841 /nfs/dbraw/zinc/44/18/41/1027441841.db2.gz CYTPILNWDMNZSH-DOTOQJQBSA-N 1 3 302.462 3.624 20 10 DHCDHO C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295814426 1027441848 /nfs/dbraw/zinc/44/18/48/1027441848.db2.gz CYTPILNWDMNZSH-DOTOQJQBSA-N 1 3 302.462 3.624 20 10 DHCDHO [O-]c1ccc(F)cc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000778996698 1027738631 /nfs/dbraw/zinc/73/86/31/1027738631.db2.gz XJBRESARFMNGSB-UHFFFAOYSA-N 1 3 320.452 3.619 20 10 DHCDHO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000817948056 1029291592 /nfs/dbraw/zinc/29/15/92/1029291592.db2.gz TXPRLHLKHIIYKD-LNLFQRSKSA-N 1 3 315.505 3.716 20 10 DHCDHO [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000817968914 1029306275 /nfs/dbraw/zinc/30/62/75/1029306275.db2.gz YRVGGMDBTFUBTJ-FQEVSTJZSA-N 1 3 322.452 3.575 20 10 DHCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c1[O-] ZINC000817969193 1029307460 /nfs/dbraw/zinc/30/74/60/1029307460.db2.gz RNDCPQWVBGTPSD-LBPRGKRZSA-N 1 3 316.832 3.808 20 10 DHCDHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817970524 1029312109 /nfs/dbraw/zinc/31/21/09/1029312109.db2.gz YVJRTYAVQCQXSR-UAGQMJEPSA-N 1 3 319.468 3.737 20 10 DHCDHO C[NH2+]Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000844924342 1031404351 /nfs/dbraw/zinc/40/43/51/1031404351.db2.gz OXTKYYHCDHSQFC-BLLLJJGKSA-N 1 3 314.404 3.589 20 10 DHCDHO Cc1cc(C)c([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c([O-])c1 ZINC000285423551 131166158 /nfs/dbraw/zinc/16/61/58/131166158.db2.gz YGRIPIZGBAYTGC-OAHLLOKOSA-N 1 3 302.462 3.534 20 10 DHCDHO CC[NH+]1CCC(N[C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000159313749 521579740 /nfs/dbraw/zinc/57/97/40/521579740.db2.gz ZCGQCLFZOMLXIT-QGZVFWFLSA-N 1 3 315.505 3.812 20 10 DHCDHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(N(C)C)cc1 ZINC000160468503 525297058 /nfs/dbraw/zinc/29/70/58/525297058.db2.gz PKNGHFDKMFAYAV-INIZCTEOSA-N 1 3 315.505 3.810 20 10 DHCDHO CCC[NH+]1CCC(N[C@@H](C)c2ccc(N(C)CC)cc2)CC1 ZINC000161601255 1018217294 /nfs/dbraw/zinc/21/72/94/1018217294.db2.gz HDGDTZIIPRHGCI-INIZCTEOSA-N 1 3 303.494 3.668 20 10 DHCDHO CC[C@@H](NC[C@@H](C)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000765118473 1018478168 /nfs/dbraw/zinc/47/81/68/1018478168.db2.gz GIZZAOBGXUZUBD-VQIMIIECSA-N 1 3 303.494 3.525 20 10 DHCDHO C[C@H](CC[NH+](C)C)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765449464 1018791301 /nfs/dbraw/zinc/79/13/01/1018791301.db2.gz KZEMOCOPFMSKCY-IAGOWNOFSA-N 1 3 303.494 3.668 20 10 DHCDHO CCN(C)c1ccc([C@@H](C)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000858490435 1032916289 /nfs/dbraw/zinc/91/62/89/1032916289.db2.gz HIOZZVKZRDIFMZ-IAGOWNOFSA-N 1 3 303.494 3.525 20 10 DHCDHO CCN(C)c1ccc([C@@H](C)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000858490435 1032916317 /nfs/dbraw/zinc/91/63/17/1032916317.db2.gz HIOZZVKZRDIFMZ-IAGOWNOFSA-N 1 3 303.494 3.525 20 10 DHCDHO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000858490435 1032916332 /nfs/dbraw/zinc/91/63/32/1032916332.db2.gz HIOZZVKZRDIFMZ-IAGOWNOFSA-N 1 3 303.494 3.525 20 10 DHCDHO Cc1cc(C)c([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)c([O-])c1 ZINC000850581035 1021620568 /nfs/dbraw/zinc/62/05/68/1021620568.db2.gz CPTYITNGWURQHY-MRXNPFEDSA-N 1 3 316.489 3.782 20 10 DHCDHO C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cc(F)ccc1[O-] ZINC000185443038 1022489094 /nfs/dbraw/zinc/48/90/94/1022489094.db2.gz LWNFPEYJJKFDHL-HNNXBMFYSA-N 1 3 308.441 3.838 20 10 DHCDHO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000769481889 1023152581 /nfs/dbraw/zinc/15/25/81/1023152581.db2.gz ANRPKFDXLQNIKQ-YLJYHZDGSA-N 1 3 317.521 3.695 20 10 DHCDHO CCN(CC)c1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000769481889 1023152587 /nfs/dbraw/zinc/15/25/87/1023152587.db2.gz ANRPKFDXLQNIKQ-YLJYHZDGSA-N 1 3 317.521 3.695 20 10 DHCDHO CCC(N)(CC)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817959612 1029298428 /nfs/dbraw/zinc/29/84/28/1029298428.db2.gz DKKVGVWEVZQKER-MRXNPFEDSA-N 1 3 303.494 3.845 20 10 DHCDHO C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)cc1 ZINC000817962102 1029301318 /nfs/dbraw/zinc/30/13/18/1029301318.db2.gz GBRCQFRFAAZPJG-MQIPJXDCSA-N 1 3 314.404 3.889 20 10 DHCDHO [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000817980619 1029315751 /nfs/dbraw/zinc/31/57/51/1029315751.db2.gz CSNJLYNXSCXOMZ-GGPKGHCWSA-N 1 3 324.468 3.783 20 10 DHCDHO Cc1ccc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c([O-])c1 ZINC000927038105 1031045671 /nfs/dbraw/zinc/04/56/71/1031045671.db2.gz MTOLVGMZFAHOEF-MDCZIUGASA-N 1 3 302.462 3.758 20 10 DHCDHO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1C(C)C ZINC000129306155 1034703200 /nfs/dbraw/zinc/70/32/00/1034703200.db2.gz CRHALDKCJDOJAT-APWZRJJASA-N 1 3 316.489 3.740 20 10 DHCDHO Cc1cc(O)c(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1C(C)C ZINC000129306155 1034703210 /nfs/dbraw/zinc/70/32/10/1034703210.db2.gz CRHALDKCJDOJAT-APWZRJJASA-N 1 3 316.489 3.740 20 10 DHCDHO CCc1cc(CN2CC[C@H](C[NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000153144170 1035768016 /nfs/dbraw/zinc/76/80/16/1035768016.db2.gz ZWLAMTJYIIWUJM-MRXNPFEDSA-N 1 3 318.505 3.636 20 10 DHCDHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000185034458 1016523604 /nfs/dbraw/zinc/52/36/04/1016523604.db2.gz DTFPZPZEZBTXGJ-GJZGRUSLSA-N 1 3 308.441 3.694 20 10 DHCDHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000185034458 1016523635 /nfs/dbraw/zinc/52/36/35/1016523635.db2.gz DTFPZPZEZBTXGJ-GJZGRUSLSA-N 1 3 308.441 3.694 20 10 DHCDHO Cc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)c([O-])c1 ZINC000185036693 1016523919 /nfs/dbraw/zinc/52/39/19/1016523919.db2.gz XATIXZIMCOBDAQ-QGZVFWFLSA-N 1 3 304.478 3.863 20 10 DHCDHO CCCN(CCC)c1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000742374849 1021114628 /nfs/dbraw/zinc/11/46/28/1021114628.db2.gz IBRRLGJRAYCAFI-MJGOQNOKSA-N 1 3 317.521 3.885 20 10 DHCDHO CCCN(CCC)c1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000742374849 1021114632 /nfs/dbraw/zinc/11/46/32/1021114632.db2.gz IBRRLGJRAYCAFI-MJGOQNOKSA-N 1 3 317.521 3.885 20 10 DHCDHO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000769470649 1023160784 /nfs/dbraw/zinc/16/07/84/1023160784.db2.gz NEBXSSDZPTXTAB-PXNSSMCTSA-N 1 3 317.521 3.837 20 10 DHCDHO CCN(CC)c1ccc(CN(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000769470649 1023160787 /nfs/dbraw/zinc/16/07/87/1023160787.db2.gz NEBXSSDZPTXTAB-PXNSSMCTSA-N 1 3 317.521 3.837 20 10 DHCDHO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)c(O)c1 ZINC000788736036 1023932305 /nfs/dbraw/zinc/93/23/05/1023932305.db2.gz CZCHXECWIVKFKI-DLBZAZTESA-N 1 3 304.478 3.924 20 10 DHCDHO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000815583420 1028554243 /nfs/dbraw/zinc/55/42/43/1028554243.db2.gz FGWCWIZWLOLBEC-INIZCTEOSA-N 1 3 304.478 3.782 20 10 DHCDHO C[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817969006 1029308923 /nfs/dbraw/zinc/30/89/23/1029308923.db2.gz PBVNFMWHKNVRRT-MJGOQNOKSA-N 1 3 315.505 3.860 20 10 DHCDHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817970526 1029309968 /nfs/dbraw/zinc/30/99/68/1029309968.db2.gz YVJRTYAVQCQXSR-XIRDDKMYSA-N 1 3 319.468 3.737 20 10 DHCDHO [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000817970541 1029310980 /nfs/dbraw/zinc/31/09/80/1029310980.db2.gz ZMVXYBJKUYXJQF-WSTZPKSXSA-N 1 3 324.468 3.926 20 10 DHCDHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000163295044 521717740 /nfs/dbraw/zinc/71/77/40/521717740.db2.gz QKKGLIXPJUAIHI-ZWKOTPCHSA-N 1 3 315.505 3.669 20 10 DHCDHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000163295044 521717741 /nfs/dbraw/zinc/71/77/41/521717741.db2.gz QKKGLIXPJUAIHI-ZWKOTPCHSA-N 1 3 315.505 3.669 20 10 DHCDHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000163295044 521717742 /nfs/dbraw/zinc/71/77/42/521717742.db2.gz QKKGLIXPJUAIHI-ZWKOTPCHSA-N 1 3 315.505 3.669 20 10 DHCDHO CC[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000766477092 1022122037 /nfs/dbraw/zinc/12/20/37/1022122037.db2.gz GCDAZGXMMOGUPH-UHOSZYNNSA-N 1 3 303.494 3.666 20 10 DHCDHO CC[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000766477092 1022122044 /nfs/dbraw/zinc/12/20/44/1022122044.db2.gz GCDAZGXMMOGUPH-UHOSZYNNSA-N 1 3 303.494 3.666 20 10 DHCDHO C[C@H](NCCC(C)(C)[NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000925742233 1023852739 /nfs/dbraw/zinc/85/27/39/1023852739.db2.gz ZZGWWYYIAKQFIX-AWEZNQCLSA-N 1 3 307.457 3.594 20 10 DHCDHO Cc1cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793769282 1025159184 /nfs/dbraw/zinc/15/91/84/1025159184.db2.gz UFWHHEPMJNXRJN-HXUWFJFHSA-N 1 3 316.489 3.526 20 10 DHCDHO Cc1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793769282 1025159187 /nfs/dbraw/zinc/15/91/87/1025159187.db2.gz UFWHHEPMJNXRJN-HXUWFJFHSA-N 1 3 316.489 3.526 20 10 DHCDHO [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000817968825 1029307757 /nfs/dbraw/zinc/30/77/57/1029307757.db2.gz MYKUCSUKZMMKMS-QUCCMNQESA-N 1 3 324.468 3.798 20 10 DHCDHO [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000817970540 1029311850 /nfs/dbraw/zinc/31/18/50/1029311850.db2.gz ZMVXYBJKUYXJQF-QWFCFKBJSA-N 1 3 324.468 3.926 20 10 DHCDHO Cc1cc(C)c([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)c([O-])c1 ZINC000866518034 1030341296 /nfs/dbraw/zinc/34/12/96/1030341296.db2.gz RJRCCLDVHMSUCA-MDCZIUGASA-N 1 3 304.478 3.923 20 10 DHCDHO C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000844924141 1031404152 /nfs/dbraw/zinc/40/41/52/1031404152.db2.gz MTDZIHUGZZNQSL-ZDUSSCGKSA-N 1 3 318.848 3.924 20 10 DHCDHO [NH3+][C@H](C[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1)C1CCCC1 ZINC000873231712 1031767381 /nfs/dbraw/zinc/76/73/81/1031767381.db2.gz AYHVQWAPMROUGP-CRAIPNDOSA-N 1 3 302.462 3.512 20 10 DHCDHO [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)C1CCCC1 ZINC000873231712 1031767387 /nfs/dbraw/zinc/76/73/87/1031767387.db2.gz AYHVQWAPMROUGP-CRAIPNDOSA-N 1 3 302.462 3.512 20 10 DHCDHO CC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(C)cc1[O-] ZINC000873236022 1031767431 /nfs/dbraw/zinc/76/74/31/1031767431.db2.gz SWZCMLBVXDPAGF-LJQANCHMSA-N 1 3 310.441 3.587 20 10 DHCDHO Cc1cc(Cl)cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1[O-] ZINC000775652308 1036229788 /nfs/dbraw/zinc/22/97/88/1036229788.db2.gz LHZRGSFMGPAJEK-UHFFFAOYSA-N 1 3 322.880 3.662 20 10 DHCDHO CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(C)cc1[O-] ZINC000280196133 334114986 /nfs/dbraw/zinc/11/49/86/334114986.db2.gz SNTFETJDYGSIFF-SFHVURJKSA-N 1 3 302.462 3.616 20 10 DHCDHO C[C@H](NC1CC[NH+](C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000161429053 525292701 /nfs/dbraw/zinc/29/27/01/525292701.db2.gz QHCUBUNAEGSPIV-HNNXBMFYSA-N 1 3 319.468 3.561 20 10 DHCDHO Cc1cccc([O-])c1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000896390670 1015569541 /nfs/dbraw/zinc/56/95/41/1015569541.db2.gz GCIDAYBUYJRPGR-UHFFFAOYSA-N 1 3 302.462 3.587 20 10 DHCDHO CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000858490280 1032918794 /nfs/dbraw/zinc/91/87/94/1032918794.db2.gz DPFBQRRJPXGYFD-VQIMIIECSA-N 1 3 303.494 3.525 20 10 DHCDHO CC[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490280 1032918799 /nfs/dbraw/zinc/91/87/99/1032918799.db2.gz DPFBQRRJPXGYFD-VQIMIIECSA-N 1 3 303.494 3.525 20 10 DHCDHO CC[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490280 1032918818 /nfs/dbraw/zinc/91/88/18/1032918818.db2.gz DPFBQRRJPXGYFD-VQIMIIECSA-N 1 3 303.494 3.525 20 10 DHCDHO C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cc(F)ccc1[O-] ZINC000185036807 1022453547 /nfs/dbraw/zinc/45/35/47/1022453547.db2.gz NYXRZVFCOCSFPO-HNNXBMFYSA-N 1 3 308.441 3.694 20 10 DHCDHO CCN(C)c1ccc([C@@H](C)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000268997155 1024216594 /nfs/dbraw/zinc/21/65/94/1024216594.db2.gz KUOFHIBZNNKBIP-MRXNPFEDSA-N 1 3 315.505 3.810 20 10 DHCDHO Cc1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c([O-])c1 ZINC000877076817 1033229587 /nfs/dbraw/zinc/22/95/87/1033229587.db2.gz RMGZYUDCGOTRGG-UHFFFAOYSA-N 1 3 302.462 3.587 20 10 DHCDHO Cc1ccc([C@H](C)NC2CC([NH+]3CCCCC3)C2)c(O)c1C ZINC000373521058 1029069750 /nfs/dbraw/zinc/06/97/50/1029069750.db2.gz JPTQWMQFGDSMOH-GTPINHCMSA-N 1 3 302.462 3.677 20 10 DHCDHO [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000925881931 1030531755 /nfs/dbraw/zinc/53/17/55/1030531755.db2.gz HSPUKHJVXZVSKM-NSHGMRRFSA-N 1 3 324.468 3.783 20 10 DHCDHO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c(C)cc2[O-])[C@@H](C)C1 ZINC000824856243 1030654255 /nfs/dbraw/zinc/65/42/55/1030654255.db2.gz UKZTVLQZXCAQCB-XJKSGUPXSA-N 1 3 310.869 3.516 20 10 DHCDHO CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c(C)cc2[O-])[C@@H](C)C1 ZINC000824856243 1030654259 /nfs/dbraw/zinc/65/42/59/1030654259.db2.gz UKZTVLQZXCAQCB-XJKSGUPXSA-N 1 3 310.869 3.516 20 10 DHCDHO CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])[C@@H](C)C1 ZINC000824856243 1030654264 /nfs/dbraw/zinc/65/42/64/1030654264.db2.gz UKZTVLQZXCAQCB-XJKSGUPXSA-N 1 3 310.869 3.516 20 10 DHCDHO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])[C@@H](C)C1 ZINC000824856243 1030654266 /nfs/dbraw/zinc/65/42/66/1030654266.db2.gz UKZTVLQZXCAQCB-XJKSGUPXSA-N 1 3 310.869 3.516 20 10 DHCDHO CCC[NH+]1CCC(C[NH2+][C@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000794810497 1034505143 /nfs/dbraw/zinc/50/51/43/1034505143.db2.gz TWOFBIUCKIEFMO-GOSISDBHSA-N 1 3 304.478 3.863 20 10 DHCDHO C[N@H+](CCCNCc1ccc2c(c1)CCCO2)Cc1ccccc1 ZINC001199038486 1037187400 /nfs/dbraw/zinc/18/74/00/1037187400.db2.gz RMXXHODUXRMYFY-UHFFFAOYSA-N 1 3 324.468 3.623 20 10 DHCDHO C[N@@H+](CCCNCc1ccc2c(c1)CCCO2)Cc1ccccc1 ZINC001199038486 1037187413 /nfs/dbraw/zinc/18/74/13/1037187413.db2.gz RMXXHODUXRMYFY-UHFFFAOYSA-N 1 3 324.468 3.623 20 10 DHCDHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000163295169 521710870 /nfs/dbraw/zinc/71/08/70/521710870.db2.gz QKKGLIXPJUAIHI-ROUUACIJSA-N 1 3 315.505 3.669 20 10 DHCDHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000163295169 521710872 /nfs/dbraw/zinc/71/08/72/521710872.db2.gz QKKGLIXPJUAIHI-ROUUACIJSA-N 1 3 315.505 3.669 20 10 DHCDHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000163295169 521710873 /nfs/dbraw/zinc/71/08/73/521710873.db2.gz QKKGLIXPJUAIHI-ROUUACIJSA-N 1 3 315.505 3.669 20 10 DHCDHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(cc1O)CCCC2 ZINC000363845187 525619313 /nfs/dbraw/zinc/61/93/13/525619313.db2.gz AQLHAUFAKJRSPL-JCGIZDLHSA-N 1 3 314.473 3.548 20 10 DHCDHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2c(cc1O)CCCC2 ZINC000363845187 525619321 /nfs/dbraw/zinc/61/93/21/525619321.db2.gz AQLHAUFAKJRSPL-JCGIZDLHSA-N 1 3 314.473 3.548 20 10 DHCDHO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001279474494 1014425927 /nfs/dbraw/zinc/42/59/27/1014425927.db2.gz ODXLFQOQZVIIPL-FQEVSTJZSA-N 1 3 316.489 3.607 20 10 DHCDHO C[N@H+]1CC[C@]2(C1)CCCN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001279474494 1014425932 /nfs/dbraw/zinc/42/59/32/1014425932.db2.gz ODXLFQOQZVIIPL-FQEVSTJZSA-N 1 3 316.489 3.607 20 10 DHCDHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000125795565 1018325186 /nfs/dbraw/zinc/32/51/86/1018325186.db2.gz BALSMSSJHYCCGY-IRXDYDNUSA-N 1 3 303.494 3.524 20 10 DHCDHO C[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc(N2CCCCC2)cc1 ZINC000765449462 1018790106 /nfs/dbraw/zinc/79/01/06/1018790106.db2.gz KZEMOCOPFMSKCY-DLBZAZTESA-N 1 3 303.494 3.668 20 10 DHCDHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccc(N(C)C)cc1 ZINC000125855699 1033004592 /nfs/dbraw/zinc/00/45/92/1033004592.db2.gz KERPWVGPRIZUMR-PXNSSMCTSA-N 1 3 317.521 3.914 20 10 DHCDHO CC[C@H](NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccc(N(C)C)cc1 ZINC000125855699 1033004604 /nfs/dbraw/zinc/00/46/04/1033004604.db2.gz KERPWVGPRIZUMR-PXNSSMCTSA-N 1 3 317.521 3.914 20 10 DHCDHO CC[C@H](NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccc(N(C)C)cc1 ZINC000125855699 1033004617 /nfs/dbraw/zinc/00/46/17/1033004617.db2.gz KERPWVGPRIZUMR-PXNSSMCTSA-N 1 3 317.521 3.914 20 10 DHCDHO CC[NH+](CC)CCCN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756340813 1021970971 /nfs/dbraw/zinc/97/09/71/1021970971.db2.gz JROIDGXXXDKVQW-HNNXBMFYSA-N 1 3 304.478 3.654 20 10 DHCDHO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000770505254 1023316530 /nfs/dbraw/zinc/31/65/30/1023316530.db2.gz LWMRZCHGKLVYFA-QGZVFWFLSA-N 1 3 316.489 3.869 20 10 DHCDHO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000770505254 1023316543 /nfs/dbraw/zinc/31/65/43/1023316543.db2.gz LWMRZCHGKLVYFA-QGZVFWFLSA-N 1 3 316.489 3.869 20 10 DHCDHO Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817934793 1029279381 /nfs/dbraw/zinc/27/93/81/1029279381.db2.gz PGJKFTNIYQMKRX-ONGXBYRLSA-N 1 3 323.484 3.726 20 10 DHCDHO CCC(N)(CC)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817959611 1029297650 /nfs/dbraw/zinc/29/76/50/1029297650.db2.gz DKKVGVWEVZQKER-INIZCTEOSA-N 1 3 303.494 3.845 20 10 DHCDHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817959431 1029302368 /nfs/dbraw/zinc/30/23/68/1029302368.db2.gz RGVDXZSNKKNOBE-APWZRJJASA-N 1 3 303.494 3.701 20 10 DHCDHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc(N2CCCCCC2)cc1 ZINC000817965168 1029305820 /nfs/dbraw/zinc/30/58/20/1029305820.db2.gz QMHLCPIXXCFAAV-INIZCTEOSA-N 1 3 301.478 3.599 20 10 DHCDHO Cc1ccc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c([O-])c1 ZINC000927038103 1031046933 /nfs/dbraw/zinc/04/69/33/1031046933.db2.gz MTOLVGMZFAHOEF-LYGPFTKASA-N 1 3 302.462 3.758 20 10 DHCDHO Cc1cc(O)c(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1C(C)C ZINC000164680840 1038268736 /nfs/dbraw/zinc/26/87/36/1038268736.db2.gz QTKOQFAEIXDZJA-APWZRJJASA-N 1 3 316.489 3.740 20 10 DHCDHO Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1C(C)C ZINC000164680840 1038268746 /nfs/dbraw/zinc/26/87/46/1038268746.db2.gz QTKOQFAEIXDZJA-APWZRJJASA-N 1 3 316.489 3.740 20 10 DHCDHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(cc1O)CCCC2 ZINC000363845189 525620883 /nfs/dbraw/zinc/62/08/83/525620883.db2.gz AQLHAUFAKJRSPL-WBAXXEDZSA-N 1 3 314.473 3.548 20 10 DHCDHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2c(cc1O)CCCC2 ZINC000363845189 525620891 /nfs/dbraw/zinc/62/08/91/525620891.db2.gz AQLHAUFAKJRSPL-WBAXXEDZSA-N 1 3 314.473 3.548 20 10 DHCDHO CCC[NH+]1CCC(N[C@@H](CC)c2ccc(N(C)C)cc2)CC1 ZINC000161621082 1018253292 /nfs/dbraw/zinc/25/32/92/1018253292.db2.gz LRDIODPKPXRGFE-IBGZPJMESA-N 1 3 303.494 3.668 20 10 DHCDHO CC[NH+]1CCC(N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000125205867 1032760467 /nfs/dbraw/zinc/76/04/67/1032760467.db2.gz LOTIKDTVHFUMSM-UHFFFAOYSA-N 1 3 315.505 3.593 20 10 DHCDHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccc(N(C)C)cc1 ZINC000125856145 1033003275 /nfs/dbraw/zinc/00/32/75/1033003275.db2.gz KERPWVGPRIZUMR-YLJYHZDGSA-N 1 3 317.521 3.914 20 10 DHCDHO CC[C@@H](NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccc(N(C)C)cc1 ZINC000125856145 1033003291 /nfs/dbraw/zinc/00/32/91/1033003291.db2.gz KERPWVGPRIZUMR-YLJYHZDGSA-N 1 3 317.521 3.914 20 10 DHCDHO CC[C@@H](NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccc(N(C)C)cc1 ZINC000125856145 1033003307 /nfs/dbraw/zinc/00/33/07/1033003307.db2.gz KERPWVGPRIZUMR-YLJYHZDGSA-N 1 3 317.521 3.914 20 10 DHCDHO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)c(O)c1C ZINC000853239113 1022238585 /nfs/dbraw/zinc/23/85/85/1022238585.db2.gz AFSNOHMGARPHOJ-SJLPKXTDSA-N 1 3 316.489 3.782 20 10 DHCDHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000854230372 1022434686 /nfs/dbraw/zinc/43/46/86/1022434686.db2.gz NYMGUOCMUXOGEU-QFBILLFUSA-N 1 3 303.494 3.701 20 10 DHCDHO CCCCN1CCC([NH2+]Cc2ccc(N(CC)CC)cc2)CC1 ZINC000236759646 1023808901 /nfs/dbraw/zinc/80/89/01/1023808901.db2.gz HOXDTSNBTFFNAT-UHFFFAOYSA-N 1 3 317.521 3.887 20 10 DHCDHO CCCN1CCC([NH2+]Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000236779005 1024040908 /nfs/dbraw/zinc/04/09/08/1024040908.db2.gz OOXNDGTVFXLMKN-UHFFFAOYSA-N 1 3 321.484 3.636 20 10 DHCDHO Cc1cccc([O-])c1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000877075437 1033229439 /nfs/dbraw/zinc/22/94/39/1033229439.db2.gz CIWRTMKTDAAYPE-UHFFFAOYSA-N 1 3 302.462 3.587 20 10 DHCDHO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)CN(C)C ZINC000813879192 1027749668 /nfs/dbraw/zinc/74/96/68/1027749668.db2.gz SYENLHDPFJCATA-HZPDHXFCSA-N 1 3 321.484 3.664 20 10 DHCDHO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)CN(C)C ZINC000813879191 1027750360 /nfs/dbraw/zinc/75/03/60/1027750360.db2.gz SYENLHDPFJCATA-HOTGVXAUSA-N 1 3 321.484 3.664 20 10 DHCDHO CCN(CC)c1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817889316 1029264319 /nfs/dbraw/zinc/26/43/19/1029264319.db2.gz SKHKAHKFEACUPI-SLFFLAALSA-N 1 3 315.505 3.543 20 10 DHCDHO Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817934792 1029278004 /nfs/dbraw/zinc/27/80/04/1029278004.db2.gz PGJKFTNIYQMKRX-JHVJFLLYSA-N 1 3 323.484 3.726 20 10 DHCDHO C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000817948057 1029289874 /nfs/dbraw/zinc/28/98/74/1029289874.db2.gz TXPRLHLKHIIYKD-SCTDSRPQSA-N 1 3 315.505 3.716 20 10 DHCDHO [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000817968915 1029308422 /nfs/dbraw/zinc/30/84/22/1029308422.db2.gz YRVGGMDBTFUBTJ-HXUWFJFHSA-N 1 3 322.452 3.575 20 10 DHCDHO C[C@H](CCC[NH3+])[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817977883 1029314535 /nfs/dbraw/zinc/31/45/35/1029314535.db2.gz QZQHVAWRVMTASZ-VQIMIIECSA-N 1 3 312.457 3.783 20 10 DHCDHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000817985199 1029323088 /nfs/dbraw/zinc/32/30/88/1029323088.db2.gz GYOKJRYXZDHNER-WMLDXEAASA-N 1 3 314.473 3.596 20 10 DHCDHO CC[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(C)cc1[O-] ZINC000925883504 1030534477 /nfs/dbraw/zinc/53/44/77/1030534477.db2.gz ZHHYQEJVVHJKQY-HFSMHLIXSA-N 1 3 324.468 3.800 20 10 DHCDHO CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000824856241 1030655081 /nfs/dbraw/zinc/65/50/81/1030655081.db2.gz UKZTVLQZXCAQCB-CJNGLKHVSA-N 1 3 310.869 3.516 20 10 DHCDHO CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000824856241 1030655087 /nfs/dbraw/zinc/65/50/87/1030655087.db2.gz UKZTVLQZXCAQCB-CJNGLKHVSA-N 1 3 310.869 3.516 20 10 DHCDHO CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000824856241 1030655094 /nfs/dbraw/zinc/65/50/94/1030655094.db2.gz UKZTVLQZXCAQCB-CJNGLKHVSA-N 1 3 310.869 3.516 20 10 DHCDHO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000824856241 1030655108 /nfs/dbraw/zinc/65/51/08/1030655108.db2.gz UKZTVLQZXCAQCB-CJNGLKHVSA-N 1 3 310.869 3.516 20 10 DHCDHO CC[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000178255392 1034222431 /nfs/dbraw/zinc/22/24/31/1034222431.db2.gz LFABQGZRVXZXMM-HXUWFJFHSA-N 1 3 315.505 3.668 20 10 DHCDHO Cc1cc(O)c(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1C(C)C ZINC000129305975 1034702800 /nfs/dbraw/zinc/70/28/00/1034702800.db2.gz CRHALDKCJDOJAT-LPHOPBHVSA-N 1 3 316.489 3.740 20 10 DHCDHO Cc1cc(O)c(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1C(C)C ZINC000129305975 1034702814 /nfs/dbraw/zinc/70/28/14/1034702814.db2.gz CRHALDKCJDOJAT-LPHOPBHVSA-N 1 3 316.489 3.740 20 10 DHCDHO Cc1cccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1[O-] ZINC000181032858 524435926 /nfs/dbraw/zinc/43/59/26/524435926.db2.gz OPIAKBWGKUTQCO-UHFFFAOYSA-N 1 3 312.457 3.831 20 10 DHCDHO Cc1cccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1[O-] ZINC000181032858 524435931 /nfs/dbraw/zinc/43/59/31/524435931.db2.gz OPIAKBWGKUTQCO-UHFFFAOYSA-N 1 3 312.457 3.831 20 10 DHCDHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766167137 1019100063 /nfs/dbraw/zinc/10/00/63/1019100063.db2.gz SFNBUTQWFHCCRZ-AOIWGVFYSA-N 1 3 315.505 3.810 20 10 DHCDHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766167137 1019100071 /nfs/dbraw/zinc/10/00/71/1019100071.db2.gz SFNBUTQWFHCCRZ-AOIWGVFYSA-N 1 3 315.505 3.810 20 10 DHCDHO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)c(O)c1C ZINC000853239112 1022239884 /nfs/dbraw/zinc/23/98/84/1022239884.db2.gz AFSNOHMGARPHOJ-FUHWJXTLSA-N 1 3 316.489 3.782 20 10 DHCDHO Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000272670395 1022511434 /nfs/dbraw/zinc/51/14/34/1022511434.db2.gz SVRBYKHLKWPPDE-YLJYHZDGSA-N 1 3 324.468 3.701 20 10 DHCDHO Cc1cccc(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1O ZINC000179884414 1022573461 /nfs/dbraw/zinc/57/34/61/1022573461.db2.gz LEBWWXJRHRPJCH-GOSISDBHSA-N 1 3 316.489 3.645 20 10 DHCDHO CCN(C)c1ccc([C@H](C)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000268997153 1024215131 /nfs/dbraw/zinc/21/51/31/1024215131.db2.gz KUOFHIBZNNKBIP-INIZCTEOSA-N 1 3 315.505 3.810 20 10 DHCDHO Cc1c2ccccc2n(C)c1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000391414961 1025335699 /nfs/dbraw/zinc/33/56/99/1025335699.db2.gz ODUWIEMLVNCABR-UHFFFAOYSA-N 1 3 313.489 3.839 20 10 DHCDHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(N2CCCCC2)c(F)c1 ZINC000818618923 1029421698 /nfs/dbraw/zinc/42/16/98/1029421698.db2.gz UUEMRBBUACRHSA-BMGDILEWSA-N 1 3 319.468 3.737 20 10 DHCDHO CCC1([NH3+])CCN([C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000925760914 1030485539 /nfs/dbraw/zinc/48/55/39/1030485539.db2.gz UGQCGWWVENOSKY-AWEZNQCLSA-N 1 3 302.462 3.535 20 10 DHCDHO C[NH2+]Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000844924344 1031403665 /nfs/dbraw/zinc/40/36/65/1031403665.db2.gz OXTKYYHCDHSQFC-MLGOLLRUSA-N 1 3 314.404 3.589 20 10 DHCDHO Cc1cccc(CNC(C)(C)CC[NH+]2CCCCCC2)c1O ZINC000776008634 1037305127 /nfs/dbraw/zinc/30/51/27/1037305127.db2.gz JTZWMUINVRCGCR-UHFFFAOYSA-N 1 3 304.478 3.835 20 10 DHCDHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000151103772 1037724975 /nfs/dbraw/zinc/72/49/75/1037724975.db2.gz SAIAEUPVMFVMIS-DLBZAZTESA-N 1 3 303.494 3.525 20 10 DHCDHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000151103772 1037724993 /nfs/dbraw/zinc/72/49/93/1037724993.db2.gz SAIAEUPVMFVMIS-DLBZAZTESA-N 1 3 303.494 3.525 20 10 DHCDHO C[C@H]([NH2+]CC1(N)CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000854222662 1022433791 /nfs/dbraw/zinc/43/37/91/1022433791.db2.gz JPYXMVSGQLQBPA-INIZCTEOSA-N 1 3 301.478 3.599 20 10 DHCDHO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c(O)c1C ZINC000756546549 1022889330 /nfs/dbraw/zinc/88/93/30/1022889330.db2.gz RSJDRJPJCHARLL-SJORKVTESA-N 1 3 304.478 3.780 20 10 DHCDHO CC[NH+]1CCC(CC[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000815583421 1028553586 /nfs/dbraw/zinc/55/35/86/1028553586.db2.gz FGWCWIZWLOLBEC-MRXNPFEDSA-N 1 3 304.478 3.782 20 10 DHCDHO CCN(CC)c1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817889318 1029263827 /nfs/dbraw/zinc/26/38/27/1029263827.db2.gz SKHKAHKFEACUPI-VAMGGRTRSA-N 1 3 315.505 3.543 20 10 DHCDHO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817945423 1029286784 /nfs/dbraw/zinc/28/67/84/1029286784.db2.gz CHRWAGRSNAUKKU-QZTJIDSGSA-N 1 3 315.505 3.717 20 10 DHCDHO CCC1([NH3+])CCN([C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000925759159 1030484733 /nfs/dbraw/zinc/48/47/33/1030484733.db2.gz KZAMKBCANRRZEV-KRWDZBQOSA-N 1 3 315.505 3.941 20 10 DHCDHO C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000844924140 1031403617 /nfs/dbraw/zinc/40/36/17/1031403617.db2.gz MTDZIHUGZZNQSL-CYBMUJFWSA-N 1 3 318.848 3.924 20 10 DHCDHO CC[C@H](NCc1ccc(C[NH3+])cc1F)c1ccc(N(C)C)cc1 ZINC000844926110 1031404214 /nfs/dbraw/zinc/40/42/14/1031404214.db2.gz WIERMHSJEPCZCG-IBGZPJMESA-N 1 3 315.436 3.591 20 10 DHCDHO CC[NH+](CC)C1CCC([NH2+]Cc2c(C)cc(C)cc2[O-])CC1 ZINC001173105210 1033542628 /nfs/dbraw/zinc/54/26/28/1033542628.db2.gz CJKGKQFVKNUAJW-UHFFFAOYSA-N 1 3 304.478 3.752 20 10 DHCDHO CCc1cc(CN2CC[C@@H](C[NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000153144265 1035768240 /nfs/dbraw/zinc/76/82/40/1035768240.db2.gz ZWLAMTJYIIWUJM-INIZCTEOSA-N 1 3 318.505 3.636 20 10 DHCDHO CCN(C)c1ccc([C@@H](C)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000765119277 1018477610 /nfs/dbraw/zinc/47/76/10/1018477610.db2.gz MSUKTAALQPVDAD-DLBZAZTESA-N 1 3 303.494 3.525 20 10 DHCDHO CCN(C)c1ccc([C@H](C)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000858490436 1032915320 /nfs/dbraw/zinc/91/53/20/1032915320.db2.gz HIOZZVKZRDIFMZ-IRXDYDNUSA-N 1 3 303.494 3.525 20 10 DHCDHO CCN(C)c1ccc([C@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000858490436 1032915338 /nfs/dbraw/zinc/91/53/38/1032915338.db2.gz HIOZZVKZRDIFMZ-IRXDYDNUSA-N 1 3 303.494 3.525 20 10 DHCDHO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000858490436 1032915349 /nfs/dbraw/zinc/91/53/49/1032915349.db2.gz HIOZZVKZRDIFMZ-IRXDYDNUSA-N 1 3 303.494 3.525 20 10 DHCDHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000858490277 1032919064 /nfs/dbraw/zinc/91/90/64/1032919064.db2.gz DPFBQRRJPXGYFD-APWZRJJASA-N 1 3 303.494 3.525 20 10 DHCDHO CC[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490277 1032919078 /nfs/dbraw/zinc/91/90/78/1032919078.db2.gz DPFBQRRJPXGYFD-APWZRJJASA-N 1 3 303.494 3.525 20 10 DHCDHO CC[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490277 1032919085 /nfs/dbraw/zinc/91/90/85/1032919085.db2.gz DPFBQRRJPXGYFD-APWZRJJASA-N 1 3 303.494 3.525 20 10 DHCDHO CC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000766477094 1022122673 /nfs/dbraw/zinc/12/26/73/1022122673.db2.gz GCDAZGXMMOGUPH-WDSOQIARSA-N 1 3 303.494 3.666 20 10 DHCDHO CC[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000766477094 1022122681 /nfs/dbraw/zinc/12/26/81/1022122681.db2.gz GCDAZGXMMOGUPH-WDSOQIARSA-N 1 3 303.494 3.666 20 10 DHCDHO CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000183546495 1022184723 /nfs/dbraw/zinc/18/47/23/1022184723.db2.gz ZPSRTWSHYMWCKD-MRXNPFEDSA-N 1 3 304.478 3.801 20 10 DHCDHO CC[C@@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(N(C)C)cc1 ZINC000269054838 1024232079 /nfs/dbraw/zinc/23/20/79/1024232079.db2.gz WNKAMEIBNMXNRI-HXUWFJFHSA-N 1 3 315.505 3.810 20 10 DHCDHO CCN(CC)c1ccc(C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000793335618 1024994074 /nfs/dbraw/zinc/99/40/74/1024994074.db2.gz HICCHOQWHGECRI-UHFFFAOYSA-N 1 3 315.505 3.639 20 10 DHCDHO CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367356508 1028173172 /nfs/dbraw/zinc/17/31/72/1028173172.db2.gz NOQYGAIODNCROT-KRWDZBQOSA-N 1 3 302.462 3.651 20 10 DHCDHO CC[C@@H](c1ccccc1[O-])[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367356508 1028173179 /nfs/dbraw/zinc/17/31/79/1028173179.db2.gz NOQYGAIODNCROT-KRWDZBQOSA-N 1 3 302.462 3.651 20 10 DHCDHO Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817934790 1029280268 /nfs/dbraw/zinc/28/02/68/1029280268.db2.gz PGJKFTNIYQMKRX-IWMITWMQSA-N 1 3 323.484 3.726 20 10 DHCDHO [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])C1 ZINC000817970539 1029311622 /nfs/dbraw/zinc/31/16/22/1029311622.db2.gz ZMVXYBJKUYXJQF-HBFSDRIKSA-N 1 3 324.468 3.926 20 10 DHCDHO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000824856242 1030655702 /nfs/dbraw/zinc/65/57/02/1030655702.db2.gz UKZTVLQZXCAQCB-CZUORRHYSA-N 1 3 310.869 3.516 20 10 DHCDHO CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000824856242 1030655706 /nfs/dbraw/zinc/65/57/06/1030655706.db2.gz UKZTVLQZXCAQCB-CZUORRHYSA-N 1 3 310.869 3.516 20 10 DHCDHO CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000824856242 1030655714 /nfs/dbraw/zinc/65/57/14/1030655714.db2.gz UKZTVLQZXCAQCB-CZUORRHYSA-N 1 3 310.869 3.516 20 10 DHCDHO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000824856242 1030655723 /nfs/dbraw/zinc/65/57/23/1030655723.db2.gz UKZTVLQZXCAQCB-CZUORRHYSA-N 1 3 310.869 3.516 20 10 DHCDHO CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185352754 1034542437 /nfs/dbraw/zinc/54/24/37/1034542437.db2.gz SURWGZCIALYUKZ-CQSZACIVSA-N 1 3 316.420 3.834 20 10 DHCDHO CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185352754 1034542444 /nfs/dbraw/zinc/54/24/44/1034542444.db2.gz SURWGZCIALYUKZ-CQSZACIVSA-N 1 3 316.420 3.834 20 10 DHCDHO CC[NH+](CC)CC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000775651937 1036244822 /nfs/dbraw/zinc/24/48/22/1036244822.db2.gz CYTDGCIOUQOZGT-UHFFFAOYSA-N 1 3 324.896 3.908 20 10 DHCDHO [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC000296086703 1013199475 /nfs/dbraw/zinc/19/94/75/1013199475.db2.gz SXGBEHGHSYFCMR-IBGZPJMESA-N 1 3 322.452 3.765 20 10 DHCDHO CC[C@H](c1ccccc1[O-])[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000317464948 1014410627 /nfs/dbraw/zinc/41/06/27/1014410627.db2.gz YONSLMAPGFNKFA-GOSISDBHSA-N 1 3 302.462 3.651 20 10 DHCDHO C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cc(F)ccc1[O-] ZINC000185443061 1016921456 /nfs/dbraw/zinc/92/14/56/1016921456.db2.gz LWNFPEYJJKFDHL-OAHLLOKOSA-N 1 3 308.441 3.838 20 10 DHCDHO CC[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000765118472 1018477171 /nfs/dbraw/zinc/47/71/71/1018477171.db2.gz GIZZAOBGXUZUBD-QFBILLFUSA-N 1 3 303.494 3.525 20 10 DHCDHO CCN(C)c1ccc([C@H](C)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000765119279 1018477510 /nfs/dbraw/zinc/47/75/10/1018477510.db2.gz MSUKTAALQPVDAD-IRXDYDNUSA-N 1 3 303.494 3.525 20 10 DHCDHO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000769405568 1023143490 /nfs/dbraw/zinc/14/34/90/1023143490.db2.gz XTTRUGHCENSYBV-LJQANCHMSA-N 1 3 317.521 3.697 20 10 DHCDHO CCCN(CCC)c1ccc(C[N@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000769405568 1023143492 /nfs/dbraw/zinc/14/34/92/1023143492.db2.gz XTTRUGHCENSYBV-LJQANCHMSA-N 1 3 317.521 3.697 20 10 DHCDHO CC[N@H+](CCC1CC[NH+](Cc2ccccc2[O-])CC1)CC(C)C ZINC000809755132 1026616065 /nfs/dbraw/zinc/61/60/65/1026616065.db2.gz FNSABLGBYFTXTL-UHFFFAOYSA-N 1 3 318.505 3.972 20 10 DHCDHO CC[N@@H+](CCC1CC[NH+](Cc2ccccc2[O-])CC1)CC(C)C ZINC000809755132 1026616072 /nfs/dbraw/zinc/61/60/72/1026616072.db2.gz FNSABLGBYFTXTL-UHFFFAOYSA-N 1 3 318.505 3.972 20 10 DHCDHO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817945422 1029289128 /nfs/dbraw/zinc/28/91/28/1029289128.db2.gz CHRWAGRSNAUKKU-MSOLQXFVSA-N 1 3 315.505 3.717 20 10 DHCDHO C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)cc1 ZINC000817962103 1029299908 /nfs/dbraw/zinc/29/99/08/1029299908.db2.gz GBRCQFRFAAZPJG-WQGACYEGSA-N 1 3 314.404 3.889 20 10 DHCDHO [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000817968828 1029307075 /nfs/dbraw/zinc/30/70/75/1029307075.db2.gz MYKUCSUKZMMKMS-UYAOXDASSA-N 1 3 324.468 3.798 20 10 DHCDHO Cc1cc(Cl)cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1[O-] ZINC000775723329 1036555868 /nfs/dbraw/zinc/55/58/68/1036555868.db2.gz FQJALCGOSWJZDP-UHFFFAOYSA-N 1 3 324.896 3.908 20 10 DHCDHO Cc1cc(C)c([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c([O-])c1 ZINC000285423546 131166821 /nfs/dbraw/zinc/16/68/21/131166821.db2.gz YGRIPIZGBAYTGC-HNNXBMFYSA-N 1 3 302.462 3.534 20 10 DHCDHO CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297581088 132023997 /nfs/dbraw/zinc/02/39/97/132023997.db2.gz HDAMJPXCSCCIBR-SFHVURJKSA-N 1 3 310.441 3.621 20 10 DHCDHO CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297581088 132023999 /nfs/dbraw/zinc/02/39/99/132023999.db2.gz HDAMJPXCSCCIBR-SFHVURJKSA-N 1 3 310.441 3.621 20 10 DHCDHO Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c([O-])c1 ZINC000185034354 1016524055 /nfs/dbraw/zinc/52/40/55/1016524055.db2.gz HWQSBBHHHOFEOR-IRXDYDNUSA-N 1 3 304.478 3.863 20 10 DHCDHO Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c([O-])c1 ZINC000185034354 1016524069 /nfs/dbraw/zinc/52/40/69/1016524069.db2.gz HWQSBBHHHOFEOR-IRXDYDNUSA-N 1 3 304.478 3.863 20 10 DHCDHO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(C)n1-c1ccccc1 ZINC000322834605 1032240589 /nfs/dbraw/zinc/24/05/89/1032240589.db2.gz HTRYXVJNGPVRGB-VCSGRIEYSA-N 1 3 323.484 3.809 20 10 DHCDHO C[C@H](CC[NH+](C)C)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000765449467 1018790848 /nfs/dbraw/zinc/79/08/48/1018790848.db2.gz KZEMOCOPFMSKCY-SJORKVTESA-N 1 3 303.494 3.668 20 10 DHCDHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766167145 1019098210 /nfs/dbraw/zinc/09/82/10/1019098210.db2.gz SFNBUTQWFHCCRZ-LNLFQRSKSA-N 1 3 315.505 3.810 20 10 DHCDHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766167145 1019098225 /nfs/dbraw/zinc/09/82/25/1019098225.db2.gz SFNBUTQWFHCCRZ-LNLFQRSKSA-N 1 3 315.505 3.810 20 10 DHCDHO CCN(C)c1ccc([C@@H](C)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000180406439 1021110445 /nfs/dbraw/zinc/11/04/45/1021110445.db2.gz AGOAWNWUMMTFIR-MRXNPFEDSA-N 1 3 303.494 3.666 20 10 DHCDHO CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccc1[O-] ZINC000850582148 1021621957 /nfs/dbraw/zinc/62/19/57/1021621957.db2.gz ICKPLWTWCMQNKH-GOSISDBHSA-N 1 3 302.462 3.555 20 10 DHCDHO CN(C)c1ccc(CNC[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000377757672 1021851590 /nfs/dbraw/zinc/85/15/90/1021851590.db2.gz AIZJDMGEGGNQFS-PZJWPPBQSA-N 1 3 323.484 3.535 20 10 DHCDHO CN(C)c1ccc(CNC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000377757672 1021851605 /nfs/dbraw/zinc/85/16/05/1021851605.db2.gz AIZJDMGEGGNQFS-PZJWPPBQSA-N 1 3 323.484 3.535 20 10 DHCDHO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CN2CCCC2)c(O)c1C ZINC000790751150 1024370663 /nfs/dbraw/zinc/37/06/63/1024370663.db2.gz SKOYLKJXYZTGNP-INIZCTEOSA-N 1 3 304.478 3.782 20 10 DHCDHO CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(F)ccc1[O-] ZINC000809740122 1026611567 /nfs/dbraw/zinc/61/15/67/1026611567.db2.gz ZYEVFJGRXQZYEM-UHFFFAOYSA-N 1 3 316.420 3.615 20 10 DHCDHO CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(F)ccc1[O-] ZINC000809740122 1026611563 /nfs/dbraw/zinc/61/15/63/1026611563.db2.gz ZYEVFJGRXQZYEM-UHFFFAOYSA-N 1 3 316.420 3.615 20 10 DHCDHO [O-]c1ccc(F)cc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000779024715 1027897842 /nfs/dbraw/zinc/89/78/42/1027897842.db2.gz JJZVAHIGPUKLJW-UHFFFAOYSA-N 1 3 320.452 3.619 20 10 DHCDHO COc1ccc(O)c(CNC(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000187661961 1028472638 /nfs/dbraw/zinc/47/26/38/1028472638.db2.gz UOQUYOFENBFCGF-UHFFFAOYSA-N 1 3 320.477 3.535 20 10 DHCDHO [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000817945446 1029288884 /nfs/dbraw/zinc/28/88/84/1029288884.db2.gz DAIYLRVTNSLYPC-QUCCMNQESA-N 1 3 324.468 3.655 20 10 DHCDHO CCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1[O-] ZINC000873205202 1031756752 /nfs/dbraw/zinc/75/67/52/1031756752.db2.gz KXHFLHXQHNWVIE-UHFFFAOYSA-N 1 3 316.470 3.512 20 10 DHCDHO CCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1[O-] ZINC000873205202 1031756767 /nfs/dbraw/zinc/75/67/67/1031756767.db2.gz KXHFLHXQHNWVIE-UHFFFAOYSA-N 1 3 316.470 3.512 20 10 DHCDHO CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000180526558 519629885 /nfs/dbraw/zinc/62/98/85/519629885.db2.gz UHXASRABEJBGGC-UHFFFAOYSA-N 1 3 316.420 3.661 20 10 DHCDHO CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000180526558 519629891 /nfs/dbraw/zinc/62/98/91/519629891.db2.gz UHXASRABEJBGGC-UHFFFAOYSA-N 1 3 316.420 3.661 20 10 DHCDHO Cc1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c([O-])c1 ZINC000896387723 1015567120 /nfs/dbraw/zinc/56/71/20/1015567120.db2.gz IQTVJEBWNGWHQW-UHFFFAOYSA-N 1 3 302.462 3.587 20 10 DHCDHO CC[NH+](CC)CCCC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000783595132 1017404506 /nfs/dbraw/zinc/40/45/06/1017404506.db2.gz OUGQANWIZPKLBH-UHFFFAOYSA-N 1 3 322.468 3.865 20 10 DHCDHO CCC[NH+]1CCC(N[C@H](C)c2ccc(N(C)CC)cc2)CC1 ZINC000161601389 1018216664 /nfs/dbraw/zinc/21/66/64/1018216664.db2.gz HDGDTZIIPRHGCI-MRXNPFEDSA-N 1 3 303.494 3.668 20 10 DHCDHO Cc1cc(C)c([C@H](C)NC2CC([NH+]3CCCCC3)C2)c(O)c1 ZINC000788804508 1023936698 /nfs/dbraw/zinc/93/66/98/1023936698.db2.gz ILXGPZQWJOZIGV-GTPINHCMSA-N 1 3 302.462 3.677 20 10 DHCDHO C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1[O-] ZINC000248384036 1025956326 /nfs/dbraw/zinc/95/63/26/1025956326.db2.gz CGZOCYBAKQHYSF-BRWVUGGUSA-N 1 3 304.478 3.801 20 10 DHCDHO C[C@@H]1C[C@H](N(C)Cc2ccc(N3CCCCC3)cc2)CC[N@@H+]1C ZINC000093643817 1026120523 /nfs/dbraw/zinc/12/05/23/1026120523.db2.gz GCEYNGOCJYGTGA-YLJYHZDGSA-N 1 3 315.505 3.591 20 10 DHCDHO C[C@@H]1C[C@H](N(C)Cc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000093643817 1026120529 /nfs/dbraw/zinc/12/05/29/1026120529.db2.gz GCEYNGOCJYGTGA-YLJYHZDGSA-N 1 3 315.505 3.591 20 10 DHCDHO [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC000296086707 1027537219 /nfs/dbraw/zinc/53/72/19/1027537219.db2.gz SXGBEHGHSYFCMR-LJQANCHMSA-N 1 3 322.452 3.765 20 10 DHCDHO Cc1ccc([C@@H](C)NC2CC([NH+]3CCCCC3)C2)c(O)c1C ZINC000373521059 1029071868 /nfs/dbraw/zinc/07/18/68/1029071868.db2.gz JPTQWMQFGDSMOH-KLAILNCOSA-N 1 3 302.462 3.677 20 10 DHCDHO [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000817968820 1029308518 /nfs/dbraw/zinc/30/85/18/1029308518.db2.gz MYKUCSUKZMMKMS-AZUAARDMSA-N 1 3 324.468 3.798 20 10 DHCDHO C[NH2+]Cc1ccccc1C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000844924343 1031403000 /nfs/dbraw/zinc/40/30/00/1031403000.db2.gz OXTKYYHCDHSQFC-LRDDRELGSA-N 1 3 314.404 3.589 20 10 DHCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1[O-] ZINC000844925253 1031404027 /nfs/dbraw/zinc/40/40/27/1031404027.db2.gz SPLODHOFDCUOGF-NSHDSACASA-N 1 3 322.811 3.803 20 10 DHCDHO C[C@H](NCCC[NH+](C)C)c1ccc(N2CCCCCC2)cc1 ZINC000151943203 1036741168 /nfs/dbraw/zinc/74/11/68/1036741168.db2.gz HXTHUVFJGUJHAZ-KRWDZBQOSA-N 1 3 303.494 3.669 20 10 DHCDHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(cc1O)CCCC2 ZINC000363845186 525569495 /nfs/dbraw/zinc/56/94/95/525569495.db2.gz AQLHAUFAKJRSPL-BMGDILEWSA-N 1 3 314.473 3.548 20 10 DHCDHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2c(cc1O)CCCC2 ZINC000363845186 525569503 /nfs/dbraw/zinc/56/95/03/525569503.db2.gz AQLHAUFAKJRSPL-BMGDILEWSA-N 1 3 314.473 3.548 20 10 DHCDHO