smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CC2(C1)CC[NH+](C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001170395964 1082360068 /nfs/dbraw/zinc/36/00/68/1082360068.db2.gz ROZVDRWQVQQVNJ-UHFFFAOYSA-N 1 3 323.484 3.418 20 30 DGEDHO C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369496 1083280631 /nfs/dbraw/zinc/28/06/31/1083280631.db2.gz NHLMPEYALGRMGW-IRXDYDNUSA-N 1 3 323.525 3.090 20 30 DGEDHO C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001170750174 1083286101 /nfs/dbraw/zinc/28/61/01/1083286101.db2.gz HDGXMAGFRDPKNZ-MSOLQXFVSA-N 1 3 323.525 3.090 20 30 DGEDHO C[NH+]1CCC2(CCN(Cc3c[nH]c4ccc(C#N)cc34)CC2)CC1 ZINC001140115762 1091772894 /nfs/dbraw/zinc/77/28/94/1091772894.db2.gz KJYKDLUSLOWKJC-UHFFFAOYSA-N 1 3 322.456 3.347 20 30 DGEDHO CCCCCCC[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209631881 1092854499 /nfs/dbraw/zinc/85/44/99/1092854499.db2.gz HPIZMNRAIVSBEV-QZTJIDSGSA-N 1 3 323.525 3.022 20 30 DGEDHO CN(c1ccccc1C=NOC(C)(C)C)C1CC[NH+](C)CC1 ZINC001336227012 1094595002 /nfs/dbraw/zinc/59/50/02/1094595002.db2.gz GGHAKAYHBJROCN-UHFFFAOYSA-N 1 3 303.450 3.366 20 30 DGEDHO C=CCCCCCCN1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222221780 1095497643 /nfs/dbraw/zinc/49/76/43/1095497643.db2.gz SISZXRGFBXKILP-QGZVFWFLSA-N 1 3 322.493 3.130 20 30 DGEDHO CN1CC[C@@H](OCC[S+](c2ccccc2)c2ccccc2)C1 ZINC001224638021 1096252762 /nfs/dbraw/zinc/25/27/62/1096252762.db2.gz WDHGMPGJJDOOEW-QGZVFWFLSA-N 1 3 314.474 3.444 20 30 DGEDHO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001227056769 1096854959 /nfs/dbraw/zinc/85/49/59/1096854959.db2.gz LBOKPZNHHPZHNG-KZNAEPCWSA-N 1 3 323.525 3.090 20 30 DGEDHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)c(C#N)c1)C2 ZINC001172108749 1097055581 /nfs/dbraw/zinc/05/55/81/1097055581.db2.gz DQDCHQVPSLFTQP-PHZGNYQRSA-N 1 3 303.837 3.317 20 30 DGEDHO Cc1cc(N2CCN([C@@H](C)Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC001172313016 1097098404 /nfs/dbraw/zinc/09/84/04/1097098404.db2.gz NQKULSLBUVQXEN-KRWDZBQOSA-N 1 3 320.440 3.015 20 30 DGEDHO CCC[NH+](CCC)CCCN1CCN([C@H](C)CCCC#N)CC1 ZINC001172509803 1097174957 /nfs/dbraw/zinc/17/49/57/1097174957.db2.gz QUQQHHLDULGFRA-LJQANCHMSA-N 1 3 322.541 3.198 20 30 DGEDHO C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001176759587 1098434531 /nfs/dbraw/zinc/43/45/31/1098434531.db2.gz KSXRGNZQJSPBPK-ZWKOTPCHSA-N 1 3 323.525 3.092 20 30 DGEDHO CCCCCCC[N@H+](C)Cc1cc2c(cc1[O-])OCC[NH2+]C2 ZINC001235662582 1099110713 /nfs/dbraw/zinc/11/07/13/1099110713.db2.gz JGLXESVYQDSJES-UHFFFAOYSA-N 1 3 306.450 3.276 20 30 DGEDHO CCCCCCC[N@@H+](C)Cc1cc2c(cc1[O-])OCC[NH2+]C2 ZINC001235662582 1099110718 /nfs/dbraw/zinc/11/07/18/1099110718.db2.gz JGLXESVYQDSJES-UHFFFAOYSA-N 1 3 306.450 3.276 20 30 DGEDHO C=CCCCCCCCCC[N@@H+]1CC[C@H](N)[C@@H](C(=O)OC)C1 ZINC001236412296 1099585903 /nfs/dbraw/zinc/58/59/03/1099585903.db2.gz SZZHGINLGIKUBM-IRXDYDNUSA-N 1 3 310.482 3.115 20 30 DGEDHO C=CCCCCCCCCC[N@H+]1CC[C@H](N)[C@@H](C(=O)OC)C1 ZINC001236412296 1099585912 /nfs/dbraw/zinc/58/59/12/1099585912.db2.gz SZZHGINLGIKUBM-IRXDYDNUSA-N 1 3 310.482 3.115 20 30 DGEDHO CCc1cc(CN2CCC3(CCC[N@H+](C)C3)CC2)ccc1C#N ZINC001278036863 1099905253 /nfs/dbraw/zinc/90/52/53/1099905253.db2.gz HLZNLGIBCKCPAU-UHFFFAOYSA-N 1 3 311.473 3.428 20 30 DGEDHO CCc1cc(CN2CCC3(CCC[N@@H+](C)C3)CC2)ccc1C#N ZINC001278036863 1099905263 /nfs/dbraw/zinc/90/52/63/1099905263.db2.gz HLZNLGIBCKCPAU-UHFFFAOYSA-N 1 3 311.473 3.428 20 30 DGEDHO CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CNCC[C@@H]1F ZINC001246001025 1104350155 /nfs/dbraw/zinc/35/01/55/1104350155.db2.gz KWCRIIPXJCZBDK-BZSNNMDCSA-N 1 3 316.505 3.415 20 30 DGEDHO CCCCCCCCCC[C@H](O)CNC[C@@H]1C[NH2+]CC[C@@H]1F ZINC001246001025 1104350167 /nfs/dbraw/zinc/35/01/67/1104350167.db2.gz KWCRIIPXJCZBDK-BZSNNMDCSA-N 1 3 316.505 3.415 20 30 DGEDHO CC[C@@H]1C[C@@H](NCCCOc2ccccc2C#N)C[C@H](CC)[NH2+]1 ZINC001246327080 1104491490 /nfs/dbraw/zinc/49/14/90/1104491490.db2.gz HYHRBWUYCALACT-BCDXTJNWSA-N 1 3 315.461 3.226 20 30 DGEDHO CC(C)(C)[C@@H]1C[C@H](NCCCOc2ccccc2C#N)CC[NH2+]1 ZINC001246329536 1104493228 /nfs/dbraw/zinc/49/32/28/1104493228.db2.gz QKLNIKMGZVQVIE-AEFFLSMTSA-N 1 3 315.461 3.083 20 30 DGEDHO N#CC1(c2ccccc2)CCC([N@@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001246585978 1104606592 /nfs/dbraw/zinc/60/65/92/1104606592.db2.gz ZIICROHDEFCGHW-KKXNLOMOSA-N 1 3 311.473 3.451 20 30 DGEDHO N#CC1(c2ccccc2)CCC([N@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001246585978 1104606595 /nfs/dbraw/zinc/60/65/95/1104606595.db2.gz ZIICROHDEFCGHW-KKXNLOMOSA-N 1 3 311.473 3.451 20 30 DGEDHO CCCCCCCC[C@H](CC)N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246627527 1104634753 /nfs/dbraw/zinc/63/47/53/1104634753.db2.gz MJCDSSOZRKDMKG-KRWDZBQOSA-N 1 3 323.525 3.070 20 30 DGEDHO C=C[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256687889 1106469693 /nfs/dbraw/zinc/46/96/93/1106469693.db2.gz JQQXNUXQZRUCHO-CTWPCTMYSA-N 1 3 300.446 3.147 20 30 DGEDHO C[C@H](CC1(C#N)CCOCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000602570615 400499719 /nfs/dbraw/zinc/49/97/19/400499719.db2.gz UFWGXGZMDPQTNR-MRXNPFEDSA-N 1 3 319.493 3.082 20 30 DGEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000602570615 400499720 /nfs/dbraw/zinc/49/97/20/400499720.db2.gz UFWGXGZMDPQTNR-MRXNPFEDSA-N 1 3 319.493 3.082 20 30 DGEDHO CCCC[N@@H+]1CCCC[C@@H]1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602544557 400493427 /nfs/dbraw/zinc/49/34/27/400493427.db2.gz LOIOLZXUKVSZQT-QZTJIDSGSA-N 1 3 321.509 3.330 20 30 DGEDHO CCCC[N@H+]1CCCC[C@@H]1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602544557 400493428 /nfs/dbraw/zinc/49/34/28/400493428.db2.gz LOIOLZXUKVSZQT-QZTJIDSGSA-N 1 3 321.509 3.330 20 30 DGEDHO CC[NH+](CC)Cc1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000190789643 432189362 /nfs/dbraw/zinc/18/93/62/432189362.db2.gz RSEWXQOVKLOVLA-UHFFFAOYSA-N 1 3 310.445 3.028 20 30 DGEDHO C[NH+]1CCC2(CCCN(Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000367201709 434542627 /nfs/dbraw/zinc/54/26/27/434542627.db2.gz UYRSITMEGHIOMQ-UHFFFAOYSA-N 1 3 301.409 3.005 20 30 DGEDHO CC[NH+](CC)CCO[C@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411302209 434756984 /nfs/dbraw/zinc/75/69/84/434756984.db2.gz FPMCRCSUWQJUQM-SFHVURJKSA-N 1 3 321.509 3.283 20 30 DGEDHO C=CCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000651322006 436165437 /nfs/dbraw/zinc/16/54/37/436165437.db2.gz PSYJGYPQBYVTBD-VAMGGRTRSA-N 1 3 314.473 3.222 20 30 DGEDHO C=CCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000651322006 436165441 /nfs/dbraw/zinc/16/54/41/436165441.db2.gz PSYJGYPQBYVTBD-VAMGGRTRSA-N 1 3 314.473 3.222 20 30 DGEDHO C=CC[C@]1(C(=O)Nc2cccc(CN(CC)CC)c2)CCC[NH2+]1 ZINC000662683995 436377802 /nfs/dbraw/zinc/37/78/02/436377802.db2.gz VHEPJIGYEGXJFF-LJQANCHMSA-N 1 3 315.461 3.165 20 30 DGEDHO C=CCC[C@H](CC)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658136627 436384985 /nfs/dbraw/zinc/38/49/85/436384985.db2.gz DQADIZOJKUMKDV-RBUKOAKNSA-N 1 3 302.462 3.088 20 30 DGEDHO C=CC[C@H](C)[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167415 436392218 /nfs/dbraw/zinc/39/22/18/436392218.db2.gz SDUIHROAIRXZGT-DLBZAZTESA-N 1 3 301.478 3.484 20 30 DGEDHO CC[NH+](CC)CCOc1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442713369 528155661 /nfs/dbraw/zinc/15/56/61/528155661.db2.gz WJVQJRWOWXWPQI-AEFFLSMTSA-N 1 3 315.461 3.189 20 30 DGEDHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902746882 619669368 /nfs/dbraw/zinc/66/93/68/619669368.db2.gz ADOBGPCGKBAAGH-ZACQAIPSSA-N 1 3 314.477 3.362 20 30 DGEDHO N#Cc1cc(Cl)cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000903453986 619779197 /nfs/dbraw/zinc/77/91/97/619779197.db2.gz QSSZZNCSBMYUEF-SJORKVTESA-N 1 3 317.864 3.423 20 30 DGEDHO C[C@H](NCC[C@H]([NH3+])Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000873234992 623085600 /nfs/dbraw/zinc/08/56/00/623085600.db2.gz JQIQFRBCDLXSBA-LPHOPBHVSA-N 1 3 323.440 3.200 20 30 DGEDHO C=CCCC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccccc1 ZINC000883192478 625964251 /nfs/dbraw/zinc/96/42/51/625964251.db2.gz ZYBMOWRGQCSCIG-SFHVURJKSA-N 1 3 302.462 3.130 20 30 DGEDHO C=C(C)C[NH+]1CCC(NC[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000819024343 628079606 /nfs/dbraw/zinc/07/96/06/628079606.db2.gz OCKOSTCWRVWBKN-QGZVFWFLSA-N 1 3 308.853 3.004 20 30 DGEDHO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000247142043 655829683 /nfs/dbraw/zinc/82/96/83/655829683.db2.gz WEWPSDWOXLNYTA-QZTJIDSGSA-N 1 3 314.473 3.470 20 30 DGEDHO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000303878977 657569659 /nfs/dbraw/zinc/56/96/59/657569659.db2.gz JKCCWUFEFGAOOU-MRXNPFEDSA-N 1 3 302.466 3.150 20 30 DGEDHO CCc1cccc(NC(=[NH2+])NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000303893117 657572717 /nfs/dbraw/zinc/57/27/17/657572717.db2.gz RRCQVQSDONYWLQ-OAHLLOKOSA-N 1 3 302.466 3.096 20 30 DGEDHO C[NH+]=C(NCCC1=CCCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262478138 657599697 /nfs/dbraw/zinc/59/96/97/657599697.db2.gz QRVRDAZNFJOBTB-GOSISDBHSA-N 1 3 318.509 3.013 20 30 DGEDHO C=C(C)CC[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC001461513604 1182823082 /nfs/dbraw/zinc/82/30/82/1182823082.db2.gz MIQZJOZBCHVPMC-UHFFFAOYSA-N 1 3 301.478 3.274 20 30 DGEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170770509 1083328687 /nfs/dbraw/zinc/32/86/87/1083328687.db2.gz ZHBRXSPHDJXCNH-QGZVFWFLSA-N 1 3 323.525 3.092 20 30 DGEDHO CCCCCCC[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166750945 1090650871 /nfs/dbraw/zinc/65/08/71/1090650871.db2.gz NLFAZHNDDMARLH-UHFFFAOYSA-N 1 3 313.530 3.031 20 30 DGEDHO [NH3+]CC1CCN(Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001205041223 1091089226 /nfs/dbraw/zinc/08/92/26/1091089226.db2.gz QXNBBEWLGQBVTB-UHFFFAOYSA-N 1 3 310.466 3.319 20 30 DGEDHO C=CCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001209200765 1092691247 /nfs/dbraw/zinc/69/12/47/1092691247.db2.gz OEOLRANZOJNXKK-OALUTQOASA-N 1 3 306.494 3.023 20 30 DGEDHO C=CCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001209200765 1092691253 /nfs/dbraw/zinc/69/12/53/1092691253.db2.gz OEOLRANZOJNXKK-OALUTQOASA-N 1 3 306.494 3.023 20 30 DGEDHO C=CCCC[C@@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001121909529 1094822342 /nfs/dbraw/zinc/82/23/42/1094822342.db2.gz UOEPRQVBFDPFIP-GOSISDBHSA-N 1 3 315.461 3.295 20 30 DGEDHO N#CCc1ccccc1CN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222173034 1095478749 /nfs/dbraw/zinc/47/87/49/1095478749.db2.gz PZMOONSJTGDTFI-HXUWFJFHSA-N 1 3 311.473 3.498 20 30 DGEDHO C[C@H](Cc1cccc(C#N)c1)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001171178660 1095651010 /nfs/dbraw/zinc/65/10/10/1095651010.db2.gz JCOCOGKEURUGMP-KZNAEPCWSA-N 1 3 313.489 3.447 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001340106896 1095865845 /nfs/dbraw/zinc/86/58/45/1095865845.db2.gz WOVMFPBWTBPXAS-MSOLQXFVSA-N 1 3 323.525 3.009 20 30 DGEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CCCCCC ZINC001229173363 1097270187 /nfs/dbraw/zinc/27/01/87/1097270187.db2.gz BPRUENRBRZGAJE-QZTJIDSGSA-N 1 3 323.525 3.092 20 30 DGEDHO N[C@H]1CC[N@H+](Cc2ccccc2C#Cc2ccccc2)CC[C@@H]1F ZINC001206182666 1097288097 /nfs/dbraw/zinc/28/80/97/1097288097.db2.gz CVRVMZZKXISEKV-SFTDATJTSA-N 1 3 322.427 3.348 20 30 DGEDHO N[C@H]1CC[N@@H+](Cc2ccccc2C#Cc2ccccc2)CC[C@@H]1F ZINC001206182666 1097288100 /nfs/dbraw/zinc/28/81/00/1097288100.db2.gz CVRVMZZKXISEKV-SFTDATJTSA-N 1 3 322.427 3.348 20 30 DGEDHO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001229868166 1097402614 /nfs/dbraw/zinc/40/26/14/1097402614.db2.gz AWTNPLODFIVEEA-QZTJIDSGSA-N 1 3 323.525 3.092 20 30 DGEDHO CC1(C#N)CCC(N2CCC([NH+]3CCC(F)CC3)CC2)CC1 ZINC001173597697 1097468069 /nfs/dbraw/zinc/46/80/69/1097468069.db2.gz DTRMJRNDJBRLNF-UHFFFAOYSA-N 1 3 307.457 3.357 20 30 DGEDHO N#Cc1ccc2cc(CN3CCC([C@H]4CCCC[NH2+]4)CC3)[nH]c2c1 ZINC001235239849 1098913267 /nfs/dbraw/zinc/91/32/67/1098913267.db2.gz JFZSQPDYIABHSZ-LJQANCHMSA-N 1 3 322.456 3.394 20 30 DGEDHO N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC001235423350 1099015406 /nfs/dbraw/zinc/01/54/06/1099015406.db2.gz GCEAVWXFSMUDNA-JKSUJKDBSA-N 1 3 317.864 3.423 20 30 DGEDHO N#Cc1cccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235428676 1099022612 /nfs/dbraw/zinc/02/26/12/1099022612.db2.gz OSQHZPJNCGFFGG-CVEARBPZSA-N 1 3 317.864 3.423 20 30 DGEDHO N#Cc1ccc(CC[N@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001236369563 1099554817 /nfs/dbraw/zinc/55/48/17/1099554817.db2.gz AKOSDNFNZWCDID-LJQANCHMSA-N 1 3 311.473 3.345 20 30 DGEDHO N#Cc1ccc(CC[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001236369563 1099554827 /nfs/dbraw/zinc/55/48/27/1099554827.db2.gz AKOSDNFNZWCDID-LJQANCHMSA-N 1 3 311.473 3.345 20 30 DGEDHO CCc1cc(C[N@@H+]2CCC[C@]3(CCCN(C)C3)C2)ccc1C#N ZINC001278036837 1099904180 /nfs/dbraw/zinc/90/41/80/1099904180.db2.gz GRNLDIXHUOEDTC-FQEVSTJZSA-N 1 3 311.473 3.428 20 30 DGEDHO CCc1cc(C[N@H+]2CCC[C@]3(CCCN(C)C3)C2)ccc1C#N ZINC001278036837 1099904193 /nfs/dbraw/zinc/90/41/93/1099904193.db2.gz GRNLDIXHUOEDTC-FQEVSTJZSA-N 1 3 311.473 3.428 20 30 DGEDHO C=CCCCCCC[C@H](O)CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246026340 1104353554 /nfs/dbraw/zinc/35/35/54/1104353554.db2.gz MPTIZPAZRFNBLV-OALUTQOASA-N 1 3 308.510 3.482 20 30 DGEDHO CCCCCCCC[C@H](CC)NCc1nnn2c1C[NH2+]CCC2 ZINC001246136855 1104401419 /nfs/dbraw/zinc/40/14/19/1104401419.db2.gz YHDBAQKCWDJCMR-INIZCTEOSA-N 1 3 321.513 3.390 20 30 DGEDHO CC[C@@H]1C[C@H](NCCCOc2ccccc2C#N)C[C@H](CC)[NH2+]1 ZINC001246327089 1104491149 /nfs/dbraw/zinc/49/11/49/1104491149.db2.gz HYHRBWUYCALACT-PIIMJCKOSA-N 1 3 315.461 3.226 20 30 DGEDHO C=C1C[C@@H]2CC([NH+]3CCC(C4=CC=C(N)CN4)CC3)C[C@H](C1)C2 ZINC001246495739 1104564769 /nfs/dbraw/zinc/56/47/69/1104564769.db2.gz QUOAMQHLNPWWLC-MCPYQZEQSA-N 1 3 313.489 3.163 20 30 DGEDHO N#Cc1ccc(C2CCC([NH2+][C@H](C3CC3)C3CNC3)CC2)cc1 ZINC001246514568 1104572256 /nfs/dbraw/zinc/57/22/56/1104572256.db2.gz IHYBNMCZKIACAP-RRWXTXHCSA-N 1 3 309.457 3.172 20 30 DGEDHO C(#CC1CC[NH+]([C@H]2CCNC3(CCC3)C2)CC1)c1ccccc1 ZINC001246923815 1104738477 /nfs/dbraw/zinc/73/84/77/1104738477.db2.gz PBRGMMZQZPILMA-FQEVSTJZSA-N 1 3 308.469 3.425 20 30 DGEDHO C(#CC1CCN([C@H]2CC[NH2+]C3(CCC3)C2)CC1)c1ccccc1 ZINC001246923815 1104738483 /nfs/dbraw/zinc/73/84/83/1104738483.db2.gz PBRGMMZQZPILMA-FQEVSTJZSA-N 1 3 308.469 3.425 20 30 DGEDHO C(#CC1CC[NH+]([C@@H]2CCNC3(CCC3)C2)CC1)c1ccccc1 ZINC001246923816 1104738773 /nfs/dbraw/zinc/73/87/73/1104738773.db2.gz PBRGMMZQZPILMA-HXUWFJFHSA-N 1 3 308.469 3.425 20 30 DGEDHO C(#CC1CCN([C@@H]2CC[NH2+]C3(CCC3)C2)CC1)c1ccccc1 ZINC001246923816 1104738778 /nfs/dbraw/zinc/73/87/78/1104738778.db2.gz PBRGMMZQZPILMA-HXUWFJFHSA-N 1 3 308.469 3.425 20 30 DGEDHO CCN(CC)CC[C@@H](C)[NH2+]CCCOc1ccccc1C#N ZINC001255950509 1106347299 /nfs/dbraw/zinc/34/72/99/1106347299.db2.gz IOFZJOXLDOIFHX-MRXNPFEDSA-N 1 3 303.450 3.037 20 30 DGEDHO N#CC1CCC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC001256963971 1106516913 /nfs/dbraw/zinc/51/69/13/1106516913.db2.gz SQXPXHQBPHFKEC-ADKAHSJRSA-N 1 3 301.478 3.479 20 30 DGEDHO C=CCO[C@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001261360348 1107414460 /nfs/dbraw/zinc/41/44/60/1107414460.db2.gz ITTLOSIETUJZIA-FQEVSTJZSA-N 1 3 314.473 3.449 20 30 DGEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000173398596 198210181 /nfs/dbraw/zinc/21/01/81/198210181.db2.gz ZKWJZYDNRXBGAU-OAHLLOKOSA-N 1 3 318.461 3.395 20 30 DGEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000173398582 198210240 /nfs/dbraw/zinc/21/02/40/198210240.db2.gz ZKWJZYDNRXBGAU-HNNXBMFYSA-N 1 3 318.461 3.395 20 30 DGEDHO N#C[C@@H]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000424328348 283059505 /nfs/dbraw/zinc/05/95/05/283059505.db2.gz NZQJAJBVEHNYOK-IVDHNXQLSA-N 1 3 309.457 3.464 20 30 DGEDHO N#C[C@@H]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000424328348 283059508 /nfs/dbraw/zinc/05/95/08/283059508.db2.gz NZQJAJBVEHNYOK-IVDHNXQLSA-N 1 3 309.457 3.464 20 30 DGEDHO COc1cc(CNCCCC[NH+]2CCC(C)CC2)ccc1C#N ZINC000281567154 216388609 /nfs/dbraw/zinc/38/86/09/216388609.db2.gz CJCPVLWTMPYNPB-UHFFFAOYSA-N 1 3 315.461 3.169 20 30 DGEDHO C=CCOc1ccccc1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459406590 243361077 /nfs/dbraw/zinc/36/10/77/243361077.db2.gz GPZKJNCWJDBJOE-UHFFFAOYSA-N 1 3 323.440 3.405 20 30 DGEDHO N#CC[C@H]1CCCN(CCCC[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000595621727 400209923 /nfs/dbraw/zinc/20/99/23/400209923.db2.gz XXRONKJYXPBWOD-QZTJIDSGSA-N 1 3 302.466 3.018 20 30 DGEDHO N#CC[C@H]1CCCN(CCCC[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000595621727 400209928 /nfs/dbraw/zinc/20/99/28/400209928.db2.gz XXRONKJYXPBWOD-QZTJIDSGSA-N 1 3 302.466 3.018 20 30 DGEDHO CC[N@H+](CCCSCC#N)Cc1ccc(CN(C)C)cc1 ZINC000599659758 401106450 /nfs/dbraw/zinc/10/64/50/401106450.db2.gz IKTVGCMYNHYXJO-UHFFFAOYSA-N 1 3 305.491 3.217 20 30 DGEDHO CC[N@@H+](CCCSCC#N)Cc1ccc(CN(C)C)cc1 ZINC000599659758 401106458 /nfs/dbraw/zinc/10/64/58/401106458.db2.gz IKTVGCMYNHYXJO-UHFFFAOYSA-N 1 3 305.491 3.217 20 30 DGEDHO N#Cc1ccc(CNCCCCC[NH+]2CCCCC2)c(F)c1 ZINC000269396704 432169386 /nfs/dbraw/zinc/16/93/86/432169386.db2.gz FDIXHJFITMLCPP-UHFFFAOYSA-N 1 3 303.425 3.443 20 30 DGEDHO CN1CCC[C@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CC[C@@H]21 ZINC000246855990 432174570 /nfs/dbraw/zinc/17/45/70/432174570.db2.gz KXPORJKEZMZHQY-HKUYNNGSSA-N 1 3 311.473 3.404 20 30 DGEDHO CN1CCC[C@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CC[C@@H]21 ZINC000246855990 432174574 /nfs/dbraw/zinc/17/45/74/432174574.db2.gz KXPORJKEZMZHQY-HKUYNNGSSA-N 1 3 311.473 3.404 20 30 DGEDHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185813377 228398885 /nfs/dbraw/zinc/39/88/85/228398885.db2.gz CSCKMAYEAYLHDJ-ROUUACIJSA-N 1 3 315.461 3.189 20 30 DGEDHO N#CCc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000342724109 229117806 /nfs/dbraw/zinc/11/78/06/229117806.db2.gz DIIXINRUXDWBKS-QUCCMNQESA-N 1 3 309.457 3.201 20 30 DGEDHO N#CCc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000342724109 229117810 /nfs/dbraw/zinc/11/78/10/229117810.db2.gz DIIXINRUXDWBKS-QUCCMNQESA-N 1 3 309.457 3.201 20 30 DGEDHO COc1ccc(C#N)cc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000123381759 431863174 /nfs/dbraw/zinc/86/31/74/431863174.db2.gz HSHIMPPZOJIWBU-UHFFFAOYSA-N 1 3 315.461 3.121 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453376846 433133293 /nfs/dbraw/zinc/13/32/93/433133293.db2.gz YDBKYYQBNGHBLN-IPELMVKDSA-N 1 3 318.461 3.011 20 30 DGEDHO N#C[C@H]1CCC[C@@H](NC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)C1 ZINC000423476775 434440162 /nfs/dbraw/zinc/44/01/62/434440162.db2.gz RJMHGPKTIDOMJH-WLWJZTKJSA-N 1 3 315.436 3.191 20 30 DGEDHO N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2CNCC[C@H]2c2ccc(F)cc2)C1 ZINC000423476775 434440171 /nfs/dbraw/zinc/44/01/71/434440171.db2.gz RJMHGPKTIDOMJH-WLWJZTKJSA-N 1 3 315.436 3.191 20 30 DGEDHO N#C[C@@H]1CCC[C@H](NC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)C1 ZINC000423476773 434441569 /nfs/dbraw/zinc/44/15/69/434441569.db2.gz RJMHGPKTIDOMJH-JZGRTCEGSA-N 1 3 315.436 3.191 20 30 DGEDHO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CNCC[C@H]2c2ccc(F)cc2)C1 ZINC000423476773 434441578 /nfs/dbraw/zinc/44/15/78/434441578.db2.gz RJMHGPKTIDOMJH-JZGRTCEGSA-N 1 3 315.436 3.191 20 30 DGEDHO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000366659919 434477030 /nfs/dbraw/zinc/47/70/30/434477030.db2.gz BNOAHOMXLXSCFZ-QFBILLFUSA-N 1 3 306.494 3.354 20 30 DGEDHO C=CCOc1cccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656786239 436045890 /nfs/dbraw/zinc/04/58/90/436045890.db2.gz QNOCHIDLQRGEAR-LJQANCHMSA-N 1 3 314.473 3.463 20 30 DGEDHO C=CCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000651322007 436164509 /nfs/dbraw/zinc/16/45/09/436164509.db2.gz PSYJGYPQBYVTBD-XUVXKRRUSA-N 1 3 314.473 3.222 20 30 DGEDHO C=CCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000651322007 436164514 /nfs/dbraw/zinc/16/45/14/436164514.db2.gz PSYJGYPQBYVTBD-XUVXKRRUSA-N 1 3 314.473 3.222 20 30 DGEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCCN1CCN(CC)CC1 ZINC000657837398 436321728 /nfs/dbraw/zinc/32/17/28/436321728.db2.gz ZMUFSNHGVQJDRB-RTBURBONSA-N 1 3 307.526 3.129 20 30 DGEDHO C=CC[C@@H]1[N@H+](CCCN2CCN(C(C)C)CC2)CCCC1(C)C ZINC000501876070 340090153 /nfs/dbraw/zinc/09/01/53/340090153.db2.gz SUYIONUVSULNEC-IBGZPJMESA-N 1 3 321.553 3.469 20 30 DGEDHO C=CC[C@@H]1[N@@H+](CCCN2CCN(C(C)C)CC2)CCCC1(C)C ZINC000501876070 340090154 /nfs/dbraw/zinc/09/01/54/340090154.db2.gz SUYIONUVSULNEC-IBGZPJMESA-N 1 3 321.553 3.469 20 30 DGEDHO C=C(C)C[N@@H+](CC)Cc1ccccc1N1CCN(CC)CC1 ZINC000505887267 340180843 /nfs/dbraw/zinc/18/08/43/340180843.db2.gz VSQCTSMCUCRPNI-UHFFFAOYSA-N 1 3 301.478 3.227 20 30 DGEDHO C=C(C)C[N@H+](CC)Cc1ccccc1N1CCN(CC)CC1 ZINC000505887267 340180844 /nfs/dbraw/zinc/18/08/44/340180844.db2.gz VSQCTSMCUCRPNI-UHFFFAOYSA-N 1 3 301.478 3.227 20 30 DGEDHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C)C(C)C ZINC000246860659 341358010 /nfs/dbraw/zinc/35/80/10/341358010.db2.gz DADHDBWOBZBIHJ-FCGDIQPGSA-N 1 3 307.526 3.003 20 30 DGEDHO C[C@H]1CN(CCC2CC[NH+](CCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000345760287 533926045 /nfs/dbraw/zinc/92/60/45/533926045.db2.gz UABRYNLWYUGXEW-IRXDYDNUSA-N 1 3 321.509 3.138 20 30 DGEDHO N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC000185813615 534747937 /nfs/dbraw/zinc/74/79/37/534747937.db2.gz CIJRAPWBNYJETD-XUVXKRRUSA-N 1 3 311.473 3.223 20 30 DGEDHO N#C[C@H]1CCC[C@@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000185813615 534747946 /nfs/dbraw/zinc/74/79/46/534747946.db2.gz CIJRAPWBNYJETD-XUVXKRRUSA-N 1 3 311.473 3.223 20 30 DGEDHO N#C[C@H]1CCC[C@@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000185813615 534747952 /nfs/dbraw/zinc/74/79/52/534747952.db2.gz CIJRAPWBNYJETD-XUVXKRRUSA-N 1 3 311.473 3.223 20 30 DGEDHO C=CCOc1ccc(CN2CCC[C@@H](CC[NH3+])C2)cc1Cl ZINC000442925812 526865367 /nfs/dbraw/zinc/86/53/67/526865367.db2.gz WXIBWCSDJQVOMO-AWEZNQCLSA-N 1 3 308.853 3.466 20 30 DGEDHO C=CCOc1ccc(CN2CCC[C@H](CC[NH3+])C2)cc1Cl ZINC000442925946 526867103 /nfs/dbraw/zinc/86/71/03/526867103.db2.gz WXIBWCSDJQVOMO-CQSZACIVSA-N 1 3 308.853 3.466 20 30 DGEDHO C=CCOc1ccccc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357057605 526932269 /nfs/dbraw/zinc/93/22/69/526932269.db2.gz UMORAYPCHYQQEP-KRWDZBQOSA-N 1 3 300.446 3.073 20 30 DGEDHO C=CCN(CC=C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678120937 548616255 /nfs/dbraw/zinc/61/62/55/548616255.db2.gz RXADIZLSBWJNEB-UHFFFAOYSA-N 1 3 300.446 3.335 20 30 DGEDHO C[C@@]1(C#N)CCN(CCCCCC[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000852686070 620641064 /nfs/dbraw/zinc/64/10/64/620641064.db2.gz FEXVPKMHZWQCEX-ROUUACIJSA-N 1 3 302.466 3.018 20 30 DGEDHO C[C@@]1(C#N)CCN(CCCCCC[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000852686070 620641067 /nfs/dbraw/zinc/64/10/67/620641067.db2.gz FEXVPKMHZWQCEX-ROUUACIJSA-N 1 3 302.466 3.018 20 30 DGEDHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902746881 619669415 /nfs/dbraw/zinc/66/94/15/619669415.db2.gz ADOBGPCGKBAAGH-IXDOHACOSA-N 1 3 314.477 3.362 20 30 DGEDHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902746881 619669416 /nfs/dbraw/zinc/66/94/16/619669416.db2.gz ADOBGPCGKBAAGH-IXDOHACOSA-N 1 3 314.477 3.362 20 30 DGEDHO CC(C)CC[NH+]1CCC(CN[C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902835667 619682077 /nfs/dbraw/zinc/68/20/77/619682077.db2.gz MYXIJMPMEFGEMR-INIZCTEOSA-N 1 3 314.477 3.362 20 30 DGEDHO N#Cc1cc(Cl)cc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000903463425 619777208 /nfs/dbraw/zinc/77/72/08/619777208.db2.gz ASKXCQRJTRRHFO-QGZVFWFLSA-N 1 3 317.864 3.423 20 30 DGEDHO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000858137411 621156652 /nfs/dbraw/zinc/15/66/52/621156652.db2.gz PJMQWRUOQXOKIK-IRXDYDNUSA-N 1 3 315.461 3.330 20 30 DGEDHO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000858137412 621156789 /nfs/dbraw/zinc/15/67/89/621156789.db2.gz PJMQWRUOQXOKIK-SJORKVTESA-N 1 3 315.461 3.330 20 30 DGEDHO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000858490964 621197732 /nfs/dbraw/zinc/19/77/32/621197732.db2.gz UDVDJPBPPVIIKR-IRXDYDNUSA-N 1 3 300.446 3.081 20 30 DGEDHO C#CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1 ZINC000769471002 622530817 /nfs/dbraw/zinc/53/08/17/622530817.db2.gz PTIVQNQDSACYHB-FUHWJXTLSA-N 1 3 300.446 3.003 20 30 DGEDHO C#CCOc1ccc(C[N@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1 ZINC000769471002 622530821 /nfs/dbraw/zinc/53/08/21/622530821.db2.gz PTIVQNQDSACYHB-FUHWJXTLSA-N 1 3 300.446 3.003 20 30 DGEDHO C=CCC[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccco1 ZINC000873294116 623106225 /nfs/dbraw/zinc/10/62/25/623106225.db2.gz SUHBIXVUQDOIGQ-CVEARBPZSA-N 1 3 304.434 3.035 20 30 DGEDHO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000125807351 623562767 /nfs/dbraw/zinc/56/27/67/623562767.db2.gz WEWPSDWOXLNYTA-ZWKOTPCHSA-N 1 3 314.473 3.470 20 30 DGEDHO CN(c1ccccc1C=NOC1CCC1)C1CC[NH+](C)CC1 ZINC000812235167 627362762 /nfs/dbraw/zinc/36/27/62/627362762.db2.gz NTWFLMPVZKNICU-UHFFFAOYSA-N 1 3 301.434 3.120 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCC(C)CC2)cc1C ZINC000104181352 627412814 /nfs/dbraw/zinc/41/28/14/627412814.db2.gz AVXOTYOGVDOKBO-MRXNPFEDSA-N 1 3 302.466 3.150 20 30 DGEDHO C#CC[N@H+](C)CCCN[C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000815652440 627695844 /nfs/dbraw/zinc/69/58/44/627695844.db2.gz CMCFPGZOUREBRI-GOSISDBHSA-N 1 3 300.446 3.062 20 30 DGEDHO C#CC[N@@H+](C)CCCN[C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000815652440 627695846 /nfs/dbraw/zinc/69/58/46/627695846.db2.gz CMCFPGZOUREBRI-GOSISDBHSA-N 1 3 300.446 3.062 20 30 DGEDHO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)c1 ZINC000925814699 627799237 /nfs/dbraw/zinc/79/92/37/627799237.db2.gz ONRNEHWWDQXZFB-MJGOQNOKSA-N 1 3 309.388 3.280 20 30 DGEDHO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000246877053 655826622 /nfs/dbraw/zinc/82/66/22/655826622.db2.gz DEXGOOWMOSWOIJ-RYQLBKOJSA-N 1 3 300.446 3.222 20 30 DGEDHO CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000303713511 657557387 /nfs/dbraw/zinc/55/73/87/657557387.db2.gz QUZVBYOBZADQGU-INIZCTEOSA-N 1 3 302.466 3.022 20 30 DGEDHO CCc1cccc(NC(=[NH2+])NC[C@H](C)N2CCCC[C@H]2C)c1 ZINC000303886658 657571785 /nfs/dbraw/zinc/57/17/85/657571785.db2.gz KLWXKCYSGVXWNE-CABCVRRESA-N 1 3 302.466 3.239 20 30 DGEDHO C#CC[C@@H]1CCCN(CC[C@H](C)[N@@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829805898 685289055 /nfs/dbraw/zinc/28/90/55/685289055.db2.gz XMJKZYUGGNCIAL-XUVXKRRUSA-N 1 3 300.490 3.236 20 30 DGEDHO C#CC[C@@H]1CCCN(CC[C@H](C)[N@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829805898 685289061 /nfs/dbraw/zinc/28/90/61/685289061.db2.gz XMJKZYUGGNCIAL-XUVXKRRUSA-N 1 3 300.490 3.236 20 30 DGEDHO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)N(CC)CC ZINC001725242218 1204126014 /nfs/dbraw/zinc/12/60/14/1204126014.db2.gz NQQINKVHLNRADE-ROUUACIJSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)N(CC)CC ZINC001725242218 1204126015 /nfs/dbraw/zinc/12/60/15/1204126015.db2.gz NQQINKVHLNRADE-ROUUACIJSA-N 1 3 323.525 3.044 20 30 DGEDHO Cc1ccc(CN2CCC(C[NH3+])(c3ccccc3)CC2)c(C#N)c1 ZINC001206755131 1091724770 /nfs/dbraw/zinc/72/47/70/1091724770.db2.gz CBLFCOJJDYVDOG-UHFFFAOYSA-N 1 3 319.452 3.359 20 30 DGEDHO Cc1c[nH+]ccc1N1CCN(CCCc2ccc(C#N)cc2)CC1 ZINC001208863616 1092550353 /nfs/dbraw/zinc/55/03/53/1092550353.db2.gz JDINSUJFLGTMPP-UHFFFAOYSA-N 1 3 320.440 3.017 20 30 DGEDHO C=CCCC[C@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001121909530 1094822179 /nfs/dbraw/zinc/82/21/79/1094822179.db2.gz UOEPRQVBFDPFIP-SFHVURJKSA-N 1 3 315.461 3.295 20 30 DGEDHO CCCCCCCC[C@@H](N)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC001121983418 1094858203 /nfs/dbraw/zinc/85/82/03/1094858203.db2.gz ZHAUCGIAOLPWGA-QGZVFWFLSA-N 1 3 311.514 3.007 20 30 DGEDHO COc1cccc(CC2([NH3+])CCN([C@H](C)CCCC#N)CC2)c1 ZINC001172492893 1097168051 /nfs/dbraw/zinc/16/80/51/1097168051.db2.gz PLCJLPLQJZPVOE-MRXNPFEDSA-N 1 3 315.461 3.113 20 30 DGEDHO C#CCN(Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCc2ccccc21 ZINC001235835583 1099200528 /nfs/dbraw/zinc/20/05/28/1099200528.db2.gz YEKOWQCKFQZGPL-JOCHJYFZSA-N 1 3 316.448 3.455 20 30 DGEDHO N#Cc1cc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)ccc1F ZINC001236374420 1099561057 /nfs/dbraw/zinc/56/10/57/1099561057.db2.gz RCTBFIPQNIAYKM-INIZCTEOSA-N 1 3 315.436 3.442 20 30 DGEDHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(C#Cc4ccccc4)cc3)C[C@@H]12 ZINC001236821492 1099807001 /nfs/dbraw/zinc/80/70/01/1099807001.db2.gz VCQRNQPVEXRXDD-YPAWHYETSA-N 1 3 316.448 3.256 20 30 DGEDHO C=CCOc1cccc(C[NH2+]CC2(CN(C)C)CCCC2)c1 ZINC001201928874 1102753600 /nfs/dbraw/zinc/75/36/00/1102753600.db2.gz GAIXRXYBILZDIY-UHFFFAOYSA-N 1 3 302.462 3.463 20 30 DGEDHO N#C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001254651030 1106122387 /nfs/dbraw/zinc/12/23/87/1106122387.db2.gz ZWAHQUKHEQZXED-AEFFLSMTSA-N 1 3 315.436 3.320 20 30 DGEDHO N#C[C@H]1CC[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001254668674 1106128762 /nfs/dbraw/zinc/12/87/62/1106128762.db2.gz HTYGRVUVTXHCPQ-RBUKOAKNSA-N 1 3 309.457 3.277 20 30 DGEDHO C=CCCOCCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272727844 210131344 /nfs/dbraw/zinc/13/13/44/210131344.db2.gz GNWANZLGKPYIHM-HKUYNNGSSA-N 1 3 302.462 3.079 20 30 DGEDHO C=CCCOCCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272727844 210131346 /nfs/dbraw/zinc/13/13/46/210131346.db2.gz GNWANZLGKPYIHM-HKUYNNGSSA-N 1 3 302.462 3.079 20 30 DGEDHO C[NH+](C)CCCOc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000066972990 432024943 /nfs/dbraw/zinc/02/49/43/432024943.db2.gz PARVGGIXXIJLRI-UHFFFAOYSA-N 1 3 323.440 3.179 20 30 DGEDHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1 ZINC000181616369 299289797 /nfs/dbraw/zinc/28/97/97/299289797.db2.gz OGDNMHPVDKOTTB-ZACQAIPSSA-N 1 3 315.461 3.098 20 30 DGEDHO CN(C)CCOc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449093137 240014933 /nfs/dbraw/zinc/01/49/33/240014933.db2.gz VZPFMDJGJGUIDM-UHFFFAOYSA-N 1 3 315.461 3.189 20 30 DGEDHO C=CC(C)(C)C[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000449485477 240238039 /nfs/dbraw/zinc/23/80/39/240238039.db2.gz NBQSGLRYJUPJNU-UHFFFAOYSA-N 1 3 301.478 3.130 20 30 DGEDHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000245903948 296121803 /nfs/dbraw/zinc/12/18/03/296121803.db2.gz OGDNMHPVDKOTTB-IXDOHACOSA-N 1 3 315.461 3.098 20 30 DGEDHO COc1cc(CN2CCC(CCC[NH+](C)C)CC2)ccc1C#N ZINC000282489371 217033419 /nfs/dbraw/zinc/03/34/19/217033419.db2.gz XKBREDAQMZYNLR-UHFFFAOYSA-N 1 3 315.461 3.121 20 30 DGEDHO COc1cc(C#N)ccc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000123179009 195552482 /nfs/dbraw/zinc/55/24/82/195552482.db2.gz RCMHQXRMORTOIC-UHFFFAOYSA-N 1 3 315.461 3.121 20 30 DGEDHO C=CCCSCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000596649720 400472142 /nfs/dbraw/zinc/47/21/42/400472142.db2.gz GFHWZRDZQYFXHJ-AEFFLSMTSA-N 1 3 318.486 3.141 20 30 DGEDHO C[N@@H+]1CC[C@@H](NCCSCc2ccccc2C#N)CC1(C)C ZINC000598953555 400911309 /nfs/dbraw/zinc/91/13/09/400911309.db2.gz YHPDKCGSCJDNRQ-QGZVFWFLSA-N 1 3 317.502 3.254 20 30 DGEDHO C[N@H+]1CC[C@@H](NCCSCc2ccccc2C#N)CC1(C)C ZINC000598953555 400911315 /nfs/dbraw/zinc/91/13/15/400911315.db2.gz YHPDKCGSCJDNRQ-QGZVFWFLSA-N 1 3 317.502 3.254 20 30 DGEDHO CC1CC[NH+](CCCCNCc2ccc(C#N)cc2F)CC1 ZINC000269443411 432173906 /nfs/dbraw/zinc/17/39/06/432173906.db2.gz TWINKMJANJWSSL-UHFFFAOYSA-N 1 3 303.425 3.299 20 30 DGEDHO CC1CC[NH+](C2CCC(NCc3ccc(C#N)o3)CC2)CC1 ZINC000131053326 196135753 /nfs/dbraw/zinc/13/57/53/196135753.db2.gz ZQJHWJFZKRXOOU-UHFFFAOYSA-N 1 3 301.434 3.284 20 30 DGEDHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cc(C#N)cs2)C1 ZINC000177685830 432649501 /nfs/dbraw/zinc/64/95/01/432649501.db2.gz KSDKNCJAZMMENY-GJZGRUSLSA-N 1 3 305.491 3.467 20 30 DGEDHO CC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccc(C#N)cc1 ZINC000278863067 432909433 /nfs/dbraw/zinc/90/94/33/432909433.db2.gz WKWLIQXFYQQYGA-LJQANCHMSA-N 1 3 315.461 3.100 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000453354217 433115196 /nfs/dbraw/zinc/11/51/96/433115196.db2.gz NDZQTMXUNLZHCO-IPELMVKDSA-N 1 3 318.461 3.011 20 30 DGEDHO CC[N@H+](C)Cc1cccc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000281752360 433370925 /nfs/dbraw/zinc/37/09/25/433370925.db2.gz RCTFJSPQEZFPAI-UHFFFAOYSA-N 1 3 323.440 3.308 20 30 DGEDHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000281752360 433370933 /nfs/dbraw/zinc/37/09/33/433370933.db2.gz RCTFJSPQEZFPAI-UHFFFAOYSA-N 1 3 323.440 3.308 20 30 DGEDHO C[C@@H](CCC#N)[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000299582352 433375590 /nfs/dbraw/zinc/37/55/90/433375590.db2.gz HTKITDZRDYILAB-INIZCTEOSA-N 1 3 300.450 3.312 20 30 DGEDHO C[C@@H](CCC#N)[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000299582352 433375597 /nfs/dbraw/zinc/37/55/97/433375597.db2.gz HTKITDZRDYILAB-INIZCTEOSA-N 1 3 300.450 3.312 20 30 DGEDHO COc1cc(CNCCCC[N@@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000281804669 433388489 /nfs/dbraw/zinc/38/84/89/433388489.db2.gz VNSOWNFXQBYRCM-INIZCTEOSA-N 1 3 315.461 3.169 20 30 DGEDHO COc1cc(CNCCCC[N@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000281804669 433388497 /nfs/dbraw/zinc/38/84/97/433388497.db2.gz VNSOWNFXQBYRCM-INIZCTEOSA-N 1 3 315.461 3.169 20 30 DGEDHO N#Cc1ccccc1CSCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422999704 434156946 /nfs/dbraw/zinc/15/69/46/434156946.db2.gz YHEGWMFBHAYXKP-DLBZAZTESA-N 1 3 303.475 3.041 20 30 DGEDHO C=CCOc1cccc(CN2CCCC23CC[NH+](C)CC3)c1 ZINC000368952230 434584137 /nfs/dbraw/zinc/58/41/37/434584137.db2.gz UMWSQFKRCQDOEI-UHFFFAOYSA-N 1 3 300.446 3.312 20 30 DGEDHO C=CCOc1cccc(C[N@H+]2CCCC23CCN(C)CC3)c1 ZINC000368952230 434584143 /nfs/dbraw/zinc/58/41/43/434584143.db2.gz UMWSQFKRCQDOEI-UHFFFAOYSA-N 1 3 300.446 3.312 20 30 DGEDHO C=CCOc1cccc(C[N@@H+]2CCCC23CCN(C)CC3)c1 ZINC000368952230 434584150 /nfs/dbraw/zinc/58/41/50/434584150.db2.gz UMWSQFKRCQDOEI-UHFFFAOYSA-N 1 3 300.446 3.312 20 30 DGEDHO C#C[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000491816350 434866403 /nfs/dbraw/zinc/86/64/03/434866403.db2.gz WERZMQZTCJPCDK-LJQANCHMSA-N 1 3 309.388 3.154 20 30 DGEDHO C#C[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000491816347 434866983 /nfs/dbraw/zinc/86/69/83/434866983.db2.gz WERZMQZTCJPCDK-IBGZPJMESA-N 1 3 309.388 3.154 20 30 DGEDHO C=CC[C@H]1CC[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1 ZINC000651723745 435805290 /nfs/dbraw/zinc/80/52/90/435805290.db2.gz ZZZJXAIRXQMBEQ-OALUTQOASA-N 1 3 319.537 3.271 20 30 DGEDHO C=CCC[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C1CC1 ZINC000658135505 436384526 /nfs/dbraw/zinc/38/45/26/436384526.db2.gz FDBUESLDMNQUDS-PMACEKPBSA-N 1 3 314.473 3.088 20 30 DGEDHO C=CCCCC[C@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658137850 436385003 /nfs/dbraw/zinc/38/50/03/436385003.db2.gz LYPUFABGQSGHNV-PXNSSMCTSA-N 1 3 316.489 3.478 20 30 DGEDHO C=CCCCC[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658137855 436385276 /nfs/dbraw/zinc/38/52/76/436385276.db2.gz LYPUFABGQSGHNV-YLJYHZDGSA-N 1 3 316.489 3.478 20 30 DGEDHO C=C(C)CN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000181044339 337179418 /nfs/dbraw/zinc/17/94/18/337179418.db2.gz FJPBMIBWBZKRKO-UHFFFAOYSA-N 1 3 301.478 3.225 20 30 DGEDHO C=CCOc1cccc(CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000130559574 341028303 /nfs/dbraw/zinc/02/83/03/341028303.db2.gz DDXVLTDZGJAQSE-UHFFFAOYSA-N 1 3 302.462 3.415 20 30 DGEDHO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000347928876 533918277 /nfs/dbraw/zinc/91/82/77/533918277.db2.gz JJSYOPKKYVXVBY-QFBILLFUSA-N 1 3 311.473 3.495 20 30 DGEDHO C[C@H]1CN(CC2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000174842070 533920948 /nfs/dbraw/zinc/92/09/48/533920948.db2.gz GSEJISSLTZUCQY-IRXDYDNUSA-N 1 3 321.509 3.138 20 30 DGEDHO CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000442680066 528146767 /nfs/dbraw/zinc/14/67/67/528146767.db2.gz NHXNRVMJMIXXJF-QFBILLFUSA-N 1 3 315.461 3.052 20 30 DGEDHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442708939 528152560 /nfs/dbraw/zinc/15/25/60/528152560.db2.gz MKWWQYMMTCKAFG-QZTJIDSGSA-N 1 3 315.461 3.189 20 30 DGEDHO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC[N@H+](C)[C@H](C)C2)c([O-])c1 ZINC000741465093 574549637 /nfs/dbraw/zinc/54/96/37/574549637.db2.gz SXVISEFNMOXEKG-AWZUXOBASA-N 1 3 303.450 3.140 20 30 DGEDHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2ccc(C#N)cc2)C[C@H]1C ZINC000740886359 574944912 /nfs/dbraw/zinc/94/49/12/574944912.db2.gz OCNXFHLLUVXCJM-SJLPKXTDSA-N 1 3 315.461 3.132 20 30 DGEDHO CC[N@H+]1CC[C@@H](N(C)CCCOc2ccc(C#N)cc2)C[C@H]1C ZINC000740886359 574944913 /nfs/dbraw/zinc/94/49/13/574944913.db2.gz OCNXFHLLUVXCJM-SJLPKXTDSA-N 1 3 315.461 3.132 20 30 DGEDHO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000924937573 618744506 /nfs/dbraw/zinc/74/45/06/618744506.db2.gz DOWLVXDIPLOFHD-MJGOQNOKSA-N 1 3 313.489 3.469 20 30 DGEDHO COc1cc(CN(C)CCCC[NH+]2CCCCC2)ccc1C#N ZINC000895683888 618818639 /nfs/dbraw/zinc/81/86/39/618818639.db2.gz XCPYBPGOMWUUCO-UHFFFAOYSA-N 1 3 315.461 3.265 20 30 DGEDHO N#Cc1cc(Cl)cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000903453985 619779417 /nfs/dbraw/zinc/77/94/17/619779417.db2.gz QSSZZNCSBMYUEF-IRXDYDNUSA-N 1 3 317.864 3.423 20 30 DGEDHO CN(C)Cc1cc(C[NH2+]Cc2csc(C#N)c2)ccc1F ZINC000921745651 620943531 /nfs/dbraw/zinc/94/35/31/620943531.db2.gz OTNIQJYIDPVSMD-UHFFFAOYSA-N 1 3 303.406 3.110 20 30 DGEDHO N#CCC[C@@H](C#N)CNCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000871910707 622736568 /nfs/dbraw/zinc/73/65/68/622736568.db2.gz AIRBVTHCHKFEOF-FQEVSTJZSA-N 1 3 324.472 3.322 20 30 DGEDHO C#CC[N@H+](C)CCCN[C@H]1CCCOc2c(C)cc(C)cc21 ZINC000815652441 627695642 /nfs/dbraw/zinc/69/56/42/627695642.db2.gz CMCFPGZOUREBRI-SFHVURJKSA-N 1 3 300.446 3.062 20 30 DGEDHO C#CC[N@@H+](C)CCCN[C@H]1CCCOc2c(C)cc(C)cc21 ZINC000815652441 627695646 /nfs/dbraw/zinc/69/56/46/627695646.db2.gz CMCFPGZOUREBRI-SFHVURJKSA-N 1 3 300.446 3.062 20 30 DGEDHO N#Cc1ccc(F)c(C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)c1 ZINC000925814697 627799260 /nfs/dbraw/zinc/79/92/60/627799260.db2.gz ONRNEHWWDQXZFB-HKUYNNGSSA-N 1 3 309.388 3.280 20 30 DGEDHO C#CCOc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000817969706 627978393 /nfs/dbraw/zinc/97/83/93/627978393.db2.gz YFRYZLGFZIYKOZ-HNNXBMFYSA-N 1 3 306.409 3.153 20 30 DGEDHO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CCCN2CC)cc1 ZINC000303712043 657557798 /nfs/dbraw/zinc/55/77/98/657557798.db2.gz PRKNFZDCIIDURU-RHSMWYFYSA-N 1 3 302.466 3.411 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NC[C@H](C)N2CCC[C@H](C)C2)cc1C ZINC000303908858 657578403 /nfs/dbraw/zinc/57/84/03/657578403.db2.gz XVUJUQYTNBXTOH-BBRMVZONSA-N 1 3 302.466 3.150 20 30 DGEDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCCC1(C#N)CCC1 ZINC000930059963 659901759 /nfs/dbraw/zinc/90/17/59/659901759.db2.gz HNJROFSJWRLTGJ-KURKYZTESA-N 1 3 319.493 3.034 20 30 DGEDHO CCCCCCCN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000157701968 661868541 /nfs/dbraw/zinc/86/85/41/661868541.db2.gz LKWTTYSJBCUSOM-RTBURBONSA-N 1 3 309.542 3.447 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC001343525653 1179291385 /nfs/dbraw/zinc/29/13/85/1179291385.db2.gz KBJDZNUURFKAKM-KRWDZBQOSA-N 1 3 311.514 3.053 20 30 DGEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001344556124 1179450463 /nfs/dbraw/zinc/45/04/63/1179450463.db2.gz GPZDXEUPZJSICM-GOSISDBHSA-N 1 3 315.461 3.295 20 30 DGEDHO C[NH+]1CCC2(CCN(CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC001655281348 1195899419 /nfs/dbraw/zinc/89/94/19/1195899419.db2.gz ZPVDXEPXDOINPD-UHFFFAOYSA-N 1 3 316.876 3.499 20 30 DGEDHO C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)CN(C)CCC)C1 ZINC001692132151 1200942133 /nfs/dbraw/zinc/94/21/33/1200942133.db2.gz QTKLBYPVZRPMBQ-ROUUACIJSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369721 1083280635 /nfs/dbraw/zinc/28/06/35/1083280635.db2.gz RILFAPYANIRZEN-SJORKVTESA-N 1 3 323.525 3.090 20 30 DGEDHO C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001170750176 1083286320 /nfs/dbraw/zinc/28/63/20/1083286320.db2.gz HDGXMAGFRDPKNZ-ROUUACIJSA-N 1 3 323.525 3.090 20 30 DGEDHO CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001267746426 1083313669 /nfs/dbraw/zinc/31/36/69/1083313669.db2.gz JOXCRNUYKGEVSO-QGZVFWFLSA-N 1 3 323.525 3.022 20 30 DGEDHO CCCCCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001267746426 1083313673 /nfs/dbraw/zinc/31/36/73/1083313673.db2.gz JOXCRNUYKGEVSO-QGZVFWFLSA-N 1 3 323.525 3.022 20 30 DGEDHO C=CCCCCCCN1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222221778 1095498219 /nfs/dbraw/zinc/49/82/19/1095498219.db2.gz SISZXRGFBXKILP-KRWDZBQOSA-N 1 3 322.493 3.130 20 30 DGEDHO C[C@@H](Cc1cccc(C#N)c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001171195128 1095691598 /nfs/dbraw/zinc/69/15/98/1095691598.db2.gz PBHRBDFGKARYPR-JXFKEZNVSA-N 1 3 311.473 3.343 20 30 DGEDHO C[C@@H](Cc1cccc(C#N)c1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001171195128 1095691602 /nfs/dbraw/zinc/69/16/02/1095691602.db2.gz PBHRBDFGKARYPR-JXFKEZNVSA-N 1 3 311.473 3.343 20 30 DGEDHO CCCCCCCC[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC001340216182 1095908892 /nfs/dbraw/zinc/90/88/92/1095908892.db2.gz QROTVARVXRJTPR-DLBZAZTESA-N 1 3 311.514 3.007 20 30 DGEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N(C)CC ZINC001227150387 1096881308 /nfs/dbraw/zinc/88/13/08/1096881308.db2.gz PUVLJJRYABHSFF-GVDBMIGSSA-N 1 3 323.525 3.088 20 30 DGEDHO N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235430706 1099026570 /nfs/dbraw/zinc/02/65/70/1099026570.db2.gz XHTWBVQJULUALZ-SJORKVTESA-N 1 3 317.864 3.423 20 30 DGEDHO CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1CNCC[C@H]1F ZINC001246001028 1104350351 /nfs/dbraw/zinc/35/03/51/1104350351.db2.gz KWCRIIPXJCZBDK-FGTMMUONSA-N 1 3 316.505 3.415 20 30 DGEDHO CCCCCCCCCC[C@H](O)CNC[C@H]1C[NH2+]CC[C@H]1F ZINC001246001028 1104350362 /nfs/dbraw/zinc/35/03/62/1104350362.db2.gz KWCRIIPXJCZBDK-FGTMMUONSA-N 1 3 316.505 3.415 20 30 DGEDHO C=CCCCCCC[C@@H](O)CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246026878 1104354733 /nfs/dbraw/zinc/35/47/33/1104354733.db2.gz VPDUFNWMRGEKAS-MOPGFXCFSA-N 1 3 308.510 3.340 20 30 DGEDHO N#CC1(c2ccc(F)cc2)CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246089439 1104378553 /nfs/dbraw/zinc/37/85/53/1104378553.db2.gz FILLRPQKSLSNHG-JLAWEPINSA-N 1 3 315.436 3.261 20 30 DGEDHO C[C@@H]1CC([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)C[C@@H](C)N1 ZINC001246805903 1104683409 /nfs/dbraw/zinc/68/34/09/1104683409.db2.gz KXMBAKMEZCYVBS-HZPDHXFCSA-N 1 3 311.473 3.342 20 30 DGEDHO N#Cc1ccc(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)cc1 ZINC001275828928 1104924895 /nfs/dbraw/zinc/92/48/95/1104924895.db2.gz MQFPMLKICFWINF-UHFFFAOYSA-N 1 3 309.457 3.399 20 30 DGEDHO C=CCCOCCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272727846 210132952 /nfs/dbraw/zinc/13/29/52/210132952.db2.gz GNWANZLGKPYIHM-IEBWSBKVSA-N 1 3 302.462 3.079 20 30 DGEDHO C=CCCOCCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272727846 210132956 /nfs/dbraw/zinc/13/29/56/210132956.db2.gz GNWANZLGKPYIHM-IEBWSBKVSA-N 1 3 302.462 3.079 20 30 DGEDHO CN1CCC[C@@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CC[C@H]21 ZINC000135292820 432111199 /nfs/dbraw/zinc/11/11/99/432111199.db2.gz KXPORJKEZMZHQY-IEBWSBKVSA-N 1 3 311.473 3.404 20 30 DGEDHO CN1CCC[C@@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CC[C@H]21 ZINC000135292820 432111203 /nfs/dbraw/zinc/11/12/03/432111203.db2.gz KXPORJKEZMZHQY-IEBWSBKVSA-N 1 3 311.473 3.404 20 30 DGEDHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1 ZINC000245903944 296122237 /nfs/dbraw/zinc/12/22/37/296122237.db2.gz OGDNMHPVDKOTTB-BRWVUGGUSA-N 1 3 315.461 3.098 20 30 DGEDHO N#Cc1ccc(CC[NH+]2CCC(NCc3ccccc3)CC2)cc1 ZINC000595508106 400172439 /nfs/dbraw/zinc/17/24/39/400172439.db2.gz HPPGADJVFBSZRY-UHFFFAOYSA-N 1 3 319.452 3.355 20 30 DGEDHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132022 400565887 /nfs/dbraw/zinc/56/58/87/400565887.db2.gz FRLBBUXXLBIXIG-MJGOQNOKSA-N 1 3 309.457 3.158 20 30 DGEDHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132022 400565892 /nfs/dbraw/zinc/56/58/92/400565892.db2.gz FRLBBUXXLBIXIG-MJGOQNOKSA-N 1 3 309.457 3.158 20 30 DGEDHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132022 400565893 /nfs/dbraw/zinc/56/58/93/400565893.db2.gz FRLBBUXXLBIXIG-MJGOQNOKSA-N 1 3 309.457 3.158 20 30 DGEDHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132022 400565896 /nfs/dbraw/zinc/56/58/96/400565896.db2.gz FRLBBUXXLBIXIG-MJGOQNOKSA-N 1 3 309.457 3.158 20 30 DGEDHO C[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(OCC#N)cc1 ZINC000181859721 228363811 /nfs/dbraw/zinc/36/38/11/228363811.db2.gz NAFOHMYYLHNHRZ-PVAVHDDUSA-N 1 3 301.434 3.112 20 30 DGEDHO CC(C#N)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000345767241 229156909 /nfs/dbraw/zinc/15/69/09/229156909.db2.gz QODMXWPHZAWIDX-HNNXBMFYSA-N 1 3 313.445 3.227 20 30 DGEDHO CC(C#N)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000345767241 229156911 /nfs/dbraw/zinc/15/69/11/229156911.db2.gz QODMXWPHZAWIDX-HNNXBMFYSA-N 1 3 313.445 3.227 20 30 DGEDHO C[C@H](NCc1cccc(C#N)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000151376117 432241255 /nfs/dbraw/zinc/24/12/55/432241255.db2.gz SHACYZRKQIRTHZ-INIZCTEOSA-N 1 3 323.440 3.349 20 30 DGEDHO C=CC[C@H]1CC[C@H](NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000651812715 435836593 /nfs/dbraw/zinc/83/65/93/435836593.db2.gz IXCWWJPDUFHYSK-WMZOPIPTSA-N 1 3 317.477 3.247 20 30 DGEDHO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCCN1CCN(CC)CC1 ZINC000657837397 436322118 /nfs/dbraw/zinc/32/21/18/436322118.db2.gz ZMUFSNHGVQJDRB-RBUKOAKNSA-N 1 3 307.526 3.129 20 30 DGEDHO C=CCCCC[C@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658137847 436385588 /nfs/dbraw/zinc/38/55/88/436385588.db2.gz LYPUFABGQSGHNV-FXAWDEMLSA-N 1 3 316.489 3.478 20 30 DGEDHO C=CCOCCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352824826 526756968 /nfs/dbraw/zinc/75/69/68/526756968.db2.gz NIZRMIAOUOIXMZ-HXUWFJFHSA-N 1 3 314.473 3.177 20 30 DGEDHO C=CCOCCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352824826 526756972 /nfs/dbraw/zinc/75/69/72/526756972.db2.gz NIZRMIAOUOIXMZ-HXUWFJFHSA-N 1 3 314.473 3.177 20 30 DGEDHO C=CCOc1cccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000347020977 526897381 /nfs/dbraw/zinc/89/73/81/526897381.db2.gz NLQXFKVCKPHCQT-IBGZPJMESA-N 1 3 300.446 3.215 20 30 DGEDHO CC(C)C[C@H](CNC(=O)C(C)C#N)[NH2+][C@H](C)c1ccccc1 ZINC000347100250 528527969 /nfs/dbraw/zinc/52/79/69/528527969.db2.gz FUWVKXKRTKDDHE-BFYDXBDKSA-N 1 3 301.434 3.028 20 30 DGEDHO CSc1ccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925774006 618615091 /nfs/dbraw/zinc/61/50/91/618615091.db2.gz QUTOUBPDVIJJOK-LSDHHAIUSA-N 1 3 303.475 3.276 20 30 DGEDHO N#Cc1ccccc1CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792723 619811576 /nfs/dbraw/zinc/81/15/76/619811576.db2.gz HLZKBKWMXLXRLW-UHFFFAOYSA-N 1 3 305.425 3.051 20 30 DGEDHO CC(C)(NCc1cccc2c1CC[NH2+]C2)c1cccc(C#N)c1 ZINC000903932999 619836705 /nfs/dbraw/zinc/83/67/05/619836705.db2.gz JKYWGQHAZVPFRI-UHFFFAOYSA-N 1 3 305.425 3.229 20 30 DGEDHO C[C@H](NCc1ccc(C#N)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000765015894 622240078 /nfs/dbraw/zinc/24/00/78/622240078.db2.gz RMOCUWDFARVNPL-INIZCTEOSA-N 1 3 323.440 3.349 20 30 DGEDHO C=CCC[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)[C@H]1CCCO1 ZINC000883237960 626619819 /nfs/dbraw/zinc/61/98/19/626619819.db2.gz OMCXEYPBKMUFSH-CEXWTWQISA-N 1 3 306.494 3.212 20 30 DGEDHO C#Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000809657272 626934150 /nfs/dbraw/zinc/93/41/50/626934150.db2.gz ZMFZBAFMJOTGFA-SZPZYZBQSA-N 1 3 316.448 3.232 20 30 DGEDHO C#Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000809657272 626934152 /nfs/dbraw/zinc/93/41/52/626934152.db2.gz ZMFZBAFMJOTGFA-SZPZYZBQSA-N 1 3 316.448 3.232 20 30 DGEDHO C#CCOc1ccc(C[N@H+](CC)CCCN2CCCC2)cc1 ZINC000809750482 626946589 /nfs/dbraw/zinc/94/65/89/626946589.db2.gz XUOJBELUNKAROE-UHFFFAOYSA-N 1 3 300.446 3.006 20 30 DGEDHO C#CCOc1ccc(C[N@@H+](CC)CCCN2CCCC2)cc1 ZINC000809750482 626946590 /nfs/dbraw/zinc/94/65/90/626946590.db2.gz XUOJBELUNKAROE-UHFFFAOYSA-N 1 3 300.446 3.006 20 30 DGEDHO C#C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)C(C)(C)C ZINC000809781231 626952046 /nfs/dbraw/zinc/95/20/46/626952046.db2.gz KCWSOANXDBBQJC-IBGZPJMESA-N 1 3 314.473 3.299 20 30 DGEDHO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886630129 627176782 /nfs/dbraw/zinc/17/67/82/627176782.db2.gz VPXZWHWSVPMOLV-CXQPBAHBSA-N 1 3 309.457 3.321 20 30 DGEDHO N#C[C@@H]1CC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886630129 627176783 /nfs/dbraw/zinc/17/67/83/627176783.db2.gz VPXZWHWSVPMOLV-CXQPBAHBSA-N 1 3 309.457 3.321 20 30 DGEDHO N#C[C@@H]1CC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886630129 627176785 /nfs/dbraw/zinc/17/67/85/627176785.db2.gz VPXZWHWSVPMOLV-CXQPBAHBSA-N 1 3 309.457 3.321 20 30 DGEDHO C=CCc1cc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc(OC)c1OC ZINC000817909000 627958678 /nfs/dbraw/zinc/95/86/78/627958678.db2.gz LSYBRAZCAROGFP-IRXDYDNUSA-N 1 3 318.461 3.182 20 30 DGEDHO C=CCc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc(OC)c1OC ZINC000817908995 627958914 /nfs/dbraw/zinc/95/89/14/627958914.db2.gz LSYBRAZCAROGFP-DLBZAZTESA-N 1 3 318.461 3.182 20 30 DGEDHO C#CC[C@H]1CCC[N@@H+]([C@@H](C)CCN2CCC[C@@H](CC#C)C2)C1 ZINC000829805899 629195626 /nfs/dbraw/zinc/19/56/26/629195626.db2.gz XMJKZYUGGNCIAL-ZCNNSNEGSA-N 1 3 300.490 3.236 20 30 DGEDHO C#CC[C@H]1CCC[N@H+]([C@@H](C)CCN2CCC[C@@H](CC#C)C2)C1 ZINC000829805899 629195629 /nfs/dbraw/zinc/19/56/29/629195629.db2.gz XMJKZYUGGNCIAL-ZCNNSNEGSA-N 1 3 300.490 3.236 20 30 DGEDHO C=CCCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849019861 631807937 /nfs/dbraw/zinc/80/79/37/631807937.db2.gz XRFODUCNNAMNGR-UHFFFAOYSA-N 1 3 314.477 3.121 20 30 DGEDHO C#CCOc1ccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000236984512 657031926 /nfs/dbraw/zinc/03/19/26/657031926.db2.gz JCKNQCIVBMXPDL-GOSISDBHSA-N 1 3 302.462 3.155 20 30 DGEDHO CCN(CC)[C@@H](CNC(=[NH2+])Nc1cccc(OC)c1)CC(C)C ZINC000303786060 657563606 /nfs/dbraw/zinc/56/36/06/657563606.db2.gz RBAXVBWJYKWPBQ-MRXNPFEDSA-N 1 3 320.481 3.178 20 30 DGEDHO CCc1cccc(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000303886661 657571815 /nfs/dbraw/zinc/57/18/15/657571815.db2.gz KLWXKCYSGVXWNE-LSDHHAIUSA-N 1 3 302.466 3.239 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NC[C@H](C)N2CCCC[C@@H]2C)cc1C ZINC000303888536 657573140 /nfs/dbraw/zinc/57/31/40/657573140.db2.gz LMUSREKPQNRHKW-HOTGVXAUSA-N 1 3 302.466 3.293 20 30 DGEDHO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)N1CCC(C)CC1 ZINC000303898097 657698969 /nfs/dbraw/zinc/69/89/69/657698969.db2.gz VJBCMKOPMHZSAC-HNNXBMFYSA-N 1 3 314.477 3.022 20 30 DGEDHO [NH3+]C[C@@H]1CCCC12CCN(CC#Cc1ccc(F)cc1)CC2 ZINC001580260964 1192017061 /nfs/dbraw/zinc/01/70/61/1192017061.db2.gz UZYSKQMRZHSKDL-KRWDZBQOSA-N 1 3 300.421 3.018 20 30 DGEDHO CCCCCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001343505919 1179287660 /nfs/dbraw/zinc/28/76/60/1179287660.db2.gz OXJLQLLMSTYBQP-QGZVFWFLSA-N 1 3 303.450 3.306 20 30 DGEDHO C=CCCC[C@H](N)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001344556127 1179450290 /nfs/dbraw/zinc/45/02/90/1179450290.db2.gz GPZDXEUPZJSICM-SFHVURJKSA-N 1 3 315.461 3.295 20 30 DGEDHO C[NH+]1CCC2(CCN(CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC001473704142 1183791333 /nfs/dbraw/zinc/79/13/33/1183791333.db2.gz IREHGMMERCGGKB-UHFFFAOYSA-N 1 3 316.876 3.499 20 30 DGEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC001660468521 1196486626 /nfs/dbraw/zinc/48/66/26/1196486626.db2.gz ZVRWBWNNNSXZDC-GTAWCEEGSA-N 1 3 311.473 3.426 20 30 DGEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170770484 1083328314 /nfs/dbraw/zinc/32/83/14/1083328314.db2.gz YPPQRJKPPZKEDH-QGZVFWFLSA-N 1 3 323.525 3.092 20 30 DGEDHO C=CCc1cccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c1[O-] ZINC001138631470 1091264312 /nfs/dbraw/zinc/26/43/12/1091264312.db2.gz SZXXJBBVIZTYOM-UHFFFAOYSA-N 1 3 323.440 3.146 20 30 DGEDHO C=C(C)CC[NH+]1CCC(NC(=O)CN(C)CCCCCC)CC1 ZINC001229641951 1097357803 /nfs/dbraw/zinc/35/78/03/1097357803.db2.gz UDEJMHVYGJFVCS-UHFFFAOYSA-N 1 3 323.525 3.045 20 30 DGEDHO N#CCC1CCC(N2CCC([NH+]3CCC(F)CC3)CC2)CC1 ZINC001173337629 1097421508 /nfs/dbraw/zinc/42/15/08/1097421508.db2.gz REVRZOFZFBABPN-UHFFFAOYSA-N 1 3 307.457 3.357 20 30 DGEDHO C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001176759586 1098433845 /nfs/dbraw/zinc/43/38/45/1098433845.db2.gz KSXRGNZQJSPBPK-ROUUACIJSA-N 1 3 323.525 3.092 20 30 DGEDHO N#Cc1ccc(Cl)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235426752 1099019115 /nfs/dbraw/zinc/01/91/15/1099019115.db2.gz LDAWFQXWTDCDOJ-CVEARBPZSA-N 1 3 317.864 3.423 20 30 DGEDHO N#Cc1cccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235428684 1099021604 /nfs/dbraw/zinc/02/16/04/1099021604.db2.gz OSQHZPJNCGFFGG-JKSUJKDBSA-N 1 3 317.864 3.423 20 30 DGEDHO C=CCN(Cc1ccccc1)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235963253 1099294662 /nfs/dbraw/zinc/29/46/62/1099294662.db2.gz VTPWKUBMFVUEEI-UHFFFAOYSA-N 1 3 321.468 3.284 20 30 DGEDHO C=C(C)COc1ccccc1CN1CC2(C1)CCC[NH2+]CC2 ZINC001236008983 1099331185 /nfs/dbraw/zinc/33/11/85/1099331185.db2.gz JZWOYPOCZPNBJT-UHFFFAOYSA-N 1 3 300.446 3.217 20 30 DGEDHO C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1CC ZINC001180373080 1099400656 /nfs/dbraw/zinc/40/06/56/1099400656.db2.gz RLDAQAPMFLSSFA-GOSISDBHSA-N 1 3 323.525 3.093 20 30 DGEDHO N#Cc1cc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)ccc1F ZINC001236374421 1099561138 /nfs/dbraw/zinc/56/11/38/1099561138.db2.gz RCTBFIPQNIAYKM-MRXNPFEDSA-N 1 3 315.436 3.442 20 30 DGEDHO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246039515 1104356884 /nfs/dbraw/zinc/35/68/84/1104356884.db2.gz NEHHQIXEYYRGSI-KSZLIROESA-N 1 3 314.489 3.121 20 30 DGEDHO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246039515 1104356896 /nfs/dbraw/zinc/35/68/96/1104356896.db2.gz NEHHQIXEYYRGSI-KSZLIROESA-N 1 3 314.489 3.121 20 30 DGEDHO C=CCCCCCC[C@H](O)C[N@H+](C1CCC1)C1CCNCC1 ZINC001246070328 1104365686 /nfs/dbraw/zinc/36/56/86/1104365686.db2.gz NISHICUHEQDOFA-IBGZPJMESA-N 1 3 308.510 3.480 20 30 DGEDHO C=CCCCCCC[C@H](O)C[N@@H+](C1CCC1)C1CCNCC1 ZINC001246070328 1104365698 /nfs/dbraw/zinc/36/56/98/1104365698.db2.gz NISHICUHEQDOFA-IBGZPJMESA-N 1 3 308.510 3.480 20 30 DGEDHO CCCCCCCCC[C@H](C)NCc1nnn2c1C[NH2+]CCC2 ZINC001246127781 1104398949 /nfs/dbraw/zinc/39/89/49/1104398949.db2.gz BWVHCWKQWYAWLL-INIZCTEOSA-N 1 3 321.513 3.390 20 30 DGEDHO CCCCCCC[C@@H](C)[NH2+]C1(CC(=O)OCC)CCNCC1 ZINC001246326102 1104490373 /nfs/dbraw/zinc/49/03/73/1104490373.db2.gz NGOYEKHPPQCLIH-MRXNPFEDSA-N 1 3 312.498 3.400 20 30 DGEDHO CCCCCCC[C@@H](C)NC1(CC(=O)OCC)CC[NH2+]CC1 ZINC001246326102 1104490375 /nfs/dbraw/zinc/49/03/75/1104490375.db2.gz NGOYEKHPPQCLIH-MRXNPFEDSA-N 1 3 312.498 3.400 20 30 DGEDHO CCCC[C@@H]1C[C@H](NCCCOc2ccccc2C#N)CC[NH2+]1 ZINC001246328384 1104493449 /nfs/dbraw/zinc/49/34/49/1104493449.db2.gz LRFSRECNGULVMR-QZTJIDSGSA-N 1 3 315.461 3.228 20 30 DGEDHO CC1(C)C[C@@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CCN1 ZINC001246805560 1104683794 /nfs/dbraw/zinc/68/37/94/1104683794.db2.gz KHECJMNGHGVDSH-IBGZPJMESA-N 1 3 311.473 3.343 20 30 DGEDHO N#Cc1ccc(CC2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC2)cc1 ZINC001246808284 1104684150 /nfs/dbraw/zinc/68/41/50/1104684150.db2.gz VYSLVEGLVRPWJF-WKCHPHFGSA-N 1 3 323.484 3.486 20 30 DGEDHO C[C@H]1CC([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)C[C@H](C)N1 ZINC001246805902 1104684263 /nfs/dbraw/zinc/68/42/63/1104684263.db2.gz KXMBAKMEZCYVBS-HOTGVXAUSA-N 1 3 311.473 3.342 20 30 DGEDHO C=C[C@@](C)(O)C[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001252577980 1105796907 /nfs/dbraw/zinc/79/69/07/1105796907.db2.gz AGVDJUIYTAMLRI-GOSISDBHSA-N 1 3 322.880 3.079 20 30 DGEDHO N#C[C@H]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001254643867 1106120927 /nfs/dbraw/zinc/12/09/27/1106120927.db2.gz NZQJAJBVEHNYOK-LJDSDSDDSA-N 1 3 309.457 3.464 20 30 DGEDHO N#C[C@H]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001254643867 1106120929 /nfs/dbraw/zinc/12/09/29/1106120929.db2.gz NZQJAJBVEHNYOK-LJDSDSDDSA-N 1 3 309.457 3.464 20 30 DGEDHO CC[C@@H](CC#N)N(Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162645 1106195267 /nfs/dbraw/zinc/19/52/67/1106195267.db2.gz VFDWFSVUNDEFIQ-BZSNNMDCSA-N 1 3 315.461 3.459 20 30 DGEDHO CN1CC[C@@H]2C[N@@H+](C3CCC(c4ccc(C#N)cc4)CC3)C[C@@H]2C1 ZINC001257018385 1106524839 /nfs/dbraw/zinc/52/48/39/1106524839.db2.gz RGPIXRYCVCNXTA-YZDRJCRTSA-N 1 3 323.484 3.468 20 30 DGEDHO CN1CC[C@@H]2C[N@H+](C3CCC(c4ccc(C#N)cc4)CC3)C[C@@H]2C1 ZINC001257018385 1106524844 /nfs/dbraw/zinc/52/48/44/1106524844.db2.gz RGPIXRYCVCNXTA-YZDRJCRTSA-N 1 3 323.484 3.468 20 30 DGEDHO C=C(C)CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000449480044 240233297 /nfs/dbraw/zinc/23/32/97/240233297.db2.gz XDQBSZMANRBWDT-UHFFFAOYSA-N 1 3 301.478 3.273 20 30 DGEDHO C[C@@H]1C[C@@H](CCNC[C@H](C#N)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000578965933 400333384 /nfs/dbraw/zinc/33/33/84/400333384.db2.gz UADMMIZAOUGEKO-RLLQIKCJSA-N 1 3 324.472 3.320 20 30 DGEDHO C[C@@H]1C[C@@H](CCNC[C@H](C#N)CCC#N)C[N@H+]1Cc1ccccc1 ZINC000578965933 400333391 /nfs/dbraw/zinc/33/33/91/400333391.db2.gz UADMMIZAOUGEKO-RLLQIKCJSA-N 1 3 324.472 3.320 20 30 DGEDHO C[C@@H]1C[C@@H](CCNC[C@@H](C#N)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000578965932 400333692 /nfs/dbraw/zinc/33/36/92/400333692.db2.gz UADMMIZAOUGEKO-MISYRCLQSA-N 1 3 324.472 3.320 20 30 DGEDHO C[C@@H]1C[C@@H](CCNC[C@@H](C#N)CCC#N)C[N@H+]1Cc1ccccc1 ZINC000578965932 400333698 /nfs/dbraw/zinc/33/36/98/400333698.db2.gz UADMMIZAOUGEKO-MISYRCLQSA-N 1 3 324.472 3.320 20 30 DGEDHO CN(CCCC[NH+]1CCCCC1)Cc1ccc(C#N)c(F)c1 ZINC000603121132 400644740 /nfs/dbraw/zinc/64/47/40/400644740.db2.gz RFZJQSYJRMQZNP-UHFFFAOYSA-N 1 3 303.425 3.395 20 30 DGEDHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C)C(C)C ZINC000246860719 432173958 /nfs/dbraw/zinc/17/39/58/432173958.db2.gz DADHDBWOBZBIHJ-NCXUSEDFSA-N 1 3 307.526 3.003 20 30 DGEDHO CC(C)[N@H+](C)Cc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000190760866 432186659 /nfs/dbraw/zinc/18/66/59/432186659.db2.gz HBOKWOROTVWPQL-UHFFFAOYSA-N 1 3 310.445 3.027 20 30 DGEDHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000190760866 432186662 /nfs/dbraw/zinc/18/66/62/432186662.db2.gz HBOKWOROTVWPQL-UHFFFAOYSA-N 1 3 310.445 3.027 20 30 DGEDHO N#Cc1ccccc1CSCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000247064362 432198385 /nfs/dbraw/zinc/19/83/85/432198385.db2.gz VOLZRZNIVBDEOF-ROUUACIJSA-N 1 3 315.486 3.008 20 30 DGEDHO N#Cc1ccccc1CSCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000247064362 432198389 /nfs/dbraw/zinc/19/83/89/432198389.db2.gz VOLZRZNIVBDEOF-ROUUACIJSA-N 1 3 315.486 3.008 20 30 DGEDHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCN(CC)C[C@@H]1C)C(C)C ZINC000247029762 432194441 /nfs/dbraw/zinc/19/44/41/432194441.db2.gz MDTVLADZAXHYBN-IPMKNSEASA-N 1 3 307.526 3.005 20 30 DGEDHO C[C@@H]1CN(CC2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@@H](C)O1 ZINC000174842083 228294000 /nfs/dbraw/zinc/29/40/00/228294000.db2.gz GSEJISSLTZUCQY-IAGOWNOFSA-N 1 3 321.509 3.138 20 30 DGEDHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185813399 228398538 /nfs/dbraw/zinc/39/85/38/228398538.db2.gz CSCKMAYEAYLHDJ-QZTJIDSGSA-N 1 3 315.461 3.189 20 30 DGEDHO CC[N@@H+]1CC[C@H](N(C)CCCOc2cccc(C#N)c2)C[C@H]1C ZINC000357273744 266155545 /nfs/dbraw/zinc/15/55/45/266155545.db2.gz PCQDLUIAUZBMQP-AEFFLSMTSA-N 1 3 315.461 3.132 20 30 DGEDHO CC[N@H+]1CC[C@H](N(C)CCCOc2cccc(C#N)c2)C[C@H]1C ZINC000357273744 266155548 /nfs/dbraw/zinc/15/55/48/266155548.db2.gz PCQDLUIAUZBMQP-AEFFLSMTSA-N 1 3 315.461 3.132 20 30 DGEDHO C#CCCOc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000113324986 431343133 /nfs/dbraw/zinc/34/31/33/431343133.db2.gz IYUUFCPUQFWEDK-UHFFFAOYSA-N 1 3 314.473 3.441 20 30 DGEDHO CN1CCC[C@@H](C[N@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000092253563 431909117 /nfs/dbraw/zinc/90/91/17/431909117.db2.gz IMIRMLVCJGPYQO-GOSISDBHSA-N 1 3 315.461 3.143 20 30 DGEDHO CN1CCC[C@@H](C[N@@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000092253563 431909118 /nfs/dbraw/zinc/90/91/18/431909118.db2.gz IMIRMLVCJGPYQO-GOSISDBHSA-N 1 3 315.461 3.143 20 30 DGEDHO C=C(C)COCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248412916 432286543 /nfs/dbraw/zinc/28/65/43/432286543.db2.gz KHLYYCYRZUPELZ-XUVXKRRUSA-N 1 3 314.473 3.079 20 30 DGEDHO C=C(C)COCCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248412916 432286546 /nfs/dbraw/zinc/28/65/46/432286546.db2.gz KHLYYCYRZUPELZ-XUVXKRRUSA-N 1 3 314.473 3.079 20 30 DGEDHO C=C(C)COCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248412916 432286548 /nfs/dbraw/zinc/28/65/48/432286548.db2.gz KHLYYCYRZUPELZ-XUVXKRRUSA-N 1 3 314.473 3.079 20 30 DGEDHO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC000248721361 432314264 /nfs/dbraw/zinc/31/42/64/432314264.db2.gz CIJRAPWBNYJETD-AQNXPRMDSA-N 1 3 311.473 3.223 20 30 DGEDHO N#C[C@@H]1CCC[C@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000248721361 432314268 /nfs/dbraw/zinc/31/42/68/432314268.db2.gz CIJRAPWBNYJETD-AQNXPRMDSA-N 1 3 311.473 3.223 20 30 DGEDHO N#C[C@@H]1CCC[C@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000248721361 432314272 /nfs/dbraw/zinc/31/42/72/432314272.db2.gz CIJRAPWBNYJETD-AQNXPRMDSA-N 1 3 311.473 3.223 20 30 DGEDHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000298359946 433106987 /nfs/dbraw/zinc/10/69/87/433106987.db2.gz KDFNBLLNZSGOCA-HNNXBMFYSA-N 1 3 306.413 3.273 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449549165 433751661 /nfs/dbraw/zinc/75/16/61/433751661.db2.gz VHOGFSZMSCRWKH-KANFNMMFSA-N 1 3 306.494 3.353 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000449549165 433751668 /nfs/dbraw/zinc/75/16/68/433751668.db2.gz VHOGFSZMSCRWKH-KANFNMMFSA-N 1 3 306.494 3.353 20 30 DGEDHO C[NH+](C)Cc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000353382573 434095368 /nfs/dbraw/zinc/09/53/68/434095368.db2.gz HYBIPTGUKGQAGA-FQEVSTJZSA-N 1 3 305.425 3.397 20 30 DGEDHO CC(C)(CC#N)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000459734036 434683621 /nfs/dbraw/zinc/68/36/21/434683621.db2.gz RGDRFIVQOGSMLB-IPMKNSEASA-N 1 3 311.473 3.426 20 30 DGEDHO CC(C)(CC#N)CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000459734036 434683628 /nfs/dbraw/zinc/68/36/28/434683628.db2.gz RGDRFIVQOGSMLB-IPMKNSEASA-N 1 3 311.473 3.426 20 30 DGEDHO CC(C)(CC#N)CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000459734036 434683633 /nfs/dbraw/zinc/68/36/33/434683633.db2.gz RGDRFIVQOGSMLB-IPMKNSEASA-N 1 3 311.473 3.426 20 30 DGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000651758563 435818766 /nfs/dbraw/zinc/81/87/66/435818766.db2.gz DZGSKHFUOKPLJR-AHRSYUTCSA-N 1 3 314.473 3.088 20 30 DGEDHO C=CCN(CCCC1CC[NH2+]CC1)Cc1ccc(OC)cc1 ZINC000647881217 436141229 /nfs/dbraw/zinc/14/12/29/436141229.db2.gz VGXKTXJJDRJCQY-UHFFFAOYSA-N 1 3 302.462 3.463 20 30 DGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCN1CCN(CC)CC1 ZINC000657837395 436321944 /nfs/dbraw/zinc/32/19/44/436321944.db2.gz ZMUFSNHGVQJDRB-MOPGFXCFSA-N 1 3 307.526 3.129 20 30 DGEDHO C=CCCCC[C@@H](C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000449230728 534695720 /nfs/dbraw/zinc/69/57/20/534695720.db2.gz BGMXZINDQLJTLH-YLJYHZDGSA-N 1 3 316.489 3.478 20 30 DGEDHO C=CCOCC[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000339022631 526772622 /nfs/dbraw/zinc/77/26/22/526772622.db2.gz QLVRUUIRIOXOHD-WOJBJXKFSA-N 1 3 314.473 3.176 20 30 DGEDHO C=CCOCC[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000339022631 526772627 /nfs/dbraw/zinc/77/26/27/526772627.db2.gz QLVRUUIRIOXOHD-WOJBJXKFSA-N 1 3 314.473 3.176 20 30 DGEDHO CC(C)CN1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000183207476 527963844 /nfs/dbraw/zinc/96/38/44/527963844.db2.gz XRJMVISIDRFLFD-INIZCTEOSA-N 1 3 315.461 3.360 20 30 DGEDHO C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000090180665 545822333 /nfs/dbraw/zinc/82/23/33/545822333.db2.gz VPJHYLVRCPXOQE-CQSZACIVSA-N 1 3 324.390 3.377 20 30 DGEDHO CN1CCC[C@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CC[C@@H]21 ZINC000597030193 547034957 /nfs/dbraw/zinc/03/49/57/547034957.db2.gz QVBTZQSBCNWKIX-HKUYNNGSSA-N 1 3 309.457 3.158 20 30 DGEDHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)CC[C@@H]21 ZINC000597030193 547034960 /nfs/dbraw/zinc/03/49/60/547034960.db2.gz QVBTZQSBCNWKIX-HKUYNNGSSA-N 1 3 309.457 3.158 20 30 DGEDHO N#C[C@H]1CC[C@@H](N[C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902394890 619630655 /nfs/dbraw/zinc/63/06/55/619630655.db2.gz XJCCVBNXVOYAIO-QEORTHHSSA-N 1 3 307.388 3.417 20 30 DGEDHO C(=NNCC[NH+]1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000915974901 620610366 /nfs/dbraw/zinc/61/03/66/620610366.db2.gz XXYAVSKVUDXCHK-UHFFFAOYSA-N 1 3 314.477 3.086 20 30 DGEDHO C#CCCCCCC[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000877625296 623967389 /nfs/dbraw/zinc/96/73/89/623967389.db2.gz IIRQDKGMUQGFMX-UHFFFAOYSA-N 1 3 313.489 3.467 20 30 DGEDHO N#Cc1cc(CN2CC[C@H]3C[C@H]3C2)cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000878987671 624402119 /nfs/dbraw/zinc/40/21/19/624402119.db2.gz JJQFXMQHMAJOII-FXELSEDVSA-N 1 3 321.468 3.242 20 30 DGEDHO N#Cc1cc(CN2CC[C@H]3C[C@H]3C2)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000878987671 624402121 /nfs/dbraw/zinc/40/21/21/624402121.db2.gz JJQFXMQHMAJOII-FXELSEDVSA-N 1 3 321.468 3.242 20 30 DGEDHO N#Cc1cc(CN2CC[C@@H]3C[C@@H]3C2)cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000878987671 624402128 /nfs/dbraw/zinc/40/21/28/624402128.db2.gz JJQFXMQHMAJOII-FXELSEDVSA-N 1 3 321.468 3.242 20 30 DGEDHO N#Cc1cc(CN2CC[C@@H]3C[C@@H]3C2)cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000878987671 624402131 /nfs/dbraw/zinc/40/21/31/624402131.db2.gz JJQFXMQHMAJOII-FXELSEDVSA-N 1 3 321.468 3.242 20 30 DGEDHO C=CC[C@@H](C)[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000879018964 624409291 /nfs/dbraw/zinc/40/92/91/624409291.db2.gz LPUPIZFAGSXZLW-APWZRJJASA-N 1 3 317.477 3.340 20 30 DGEDHO C=CC[C@@H](C)[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000879018964 624409294 /nfs/dbraw/zinc/40/92/94/624409294.db2.gz LPUPIZFAGSXZLW-APWZRJJASA-N 1 3 317.477 3.340 20 30 DGEDHO CN(c1ccccc1C=NOCCC1CC1)C1CC[NH+](C)CC1 ZINC000814245574 627554089 /nfs/dbraw/zinc/55/40/89/627554089.db2.gz YFNMFMZWGLIIOP-UHFFFAOYSA-N 1 3 315.461 3.368 20 30 DGEDHO C#CC[N@H+](C)CCCN[C@H]1CCCOc2cc(C)c(C)cc21 ZINC000815652485 627696035 /nfs/dbraw/zinc/69/60/35/627696035.db2.gz FFOVQKYMHXRVBD-SFHVURJKSA-N 1 3 300.446 3.062 20 30 DGEDHO C#CC[N@@H+](C)CCCN[C@H]1CCCOc2cc(C)c(C)cc21 ZINC000815652485 627696037 /nfs/dbraw/zinc/69/60/37/627696037.db2.gz FFOVQKYMHXRVBD-SFHVURJKSA-N 1 3 300.446 3.062 20 30 DGEDHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(OCC#N)cc1 ZINC000817967790 627977717 /nfs/dbraw/zinc/97/77/17/627977717.db2.gz BWBGEXKJRQSMNK-AWEZNQCLSA-N 1 3 307.397 3.043 20 30 DGEDHO C#CCCOc1ccc(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000175010970 659914904 /nfs/dbraw/zinc/91/49/04/659914904.db2.gz YSVVVPXODQADDD-ROUUACIJSA-N 1 3 300.446 3.051 20 30 DGEDHO CCCCN(CCO[C@H](C)C#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032946 661447034 /nfs/dbraw/zinc/44/70/34/661447034.db2.gz CQKLRINPFHKJNY-OAHLLOKOSA-N 1 3 309.498 3.326 20 30 DGEDHO C[C@H]1CCCC[C@@]1(CN)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC001576690040 1191863225 /nfs/dbraw/zinc/86/32/25/1191863225.db2.gz HYXMKESZNRXAQF-GUYCJALGSA-N 1 3 321.852 3.240 20 30 DGEDHO COc1ccc([C@@H](C[NH3+])CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC001579194426 1191968801 /nfs/dbraw/zinc/96/88/01/1191968801.db2.gz MZYCIGVTQZSMOW-KXBFYZLASA-N 1 3 323.440 3.302 20 30 DGEDHO C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001331441072 1178214476 /nfs/dbraw/zinc/21/44/76/1178214476.db2.gz VWACEBYRWKRJHC-SJORKVTESA-N 1 3 323.525 3.042 20 30 DGEDHO CCCCCCCC[C@@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001341634613 1179041629 /nfs/dbraw/zinc/04/16/29/1179041629.db2.gz QSFBGKXKDVDNIW-QZTJIDSGSA-N 1 3 323.525 3.055 20 30 DGEDHO C=CCC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001505920274 1186164092 /nfs/dbraw/zinc/16/40/92/1186164092.db2.gz JHNVYGZYZDSCDE-SJORKVTESA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001505920274 1186164095 /nfs/dbraw/zinc/16/40/95/1186164095.db2.gz JHNVYGZYZDSCDE-SJORKVTESA-N 1 3 323.525 3.042 20 30 DGEDHO CCCCCCCC[C@@H](N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001521527931 1187028530 /nfs/dbraw/zinc/02/85/30/1187028530.db2.gz YKFIPXMGUXALEF-QGZVFWFLSA-N 1 3 323.525 3.057 20 30 DGEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC001660468522 1196486748 /nfs/dbraw/zinc/48/67/48/1196486748.db2.gz ZVRWBWNNNSXZDC-LMCOJAPRSA-N 1 3 311.473 3.426 20 30 DGEDHO CC(C)[Si](C#CN[C@@H](C)[C@@H]1C[NH2+]CCO1)(C(C)C)C(C)C ZINC001170568423 1082685813 /nfs/dbraw/zinc/68/58/13/1082685813.db2.gz ONCFGSCXBBWTMN-IRXDYDNUSA-N 1 3 310.558 3.132 20 30 DGEDHO C=CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583681 1083309440 /nfs/dbraw/zinc/30/94/40/1083309440.db2.gz NDQBXUCWXVXPES-IAGOWNOFSA-N 1 3 323.525 3.090 20 30 DGEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170770483 1083328298 /nfs/dbraw/zinc/32/82/98/1083328298.db2.gz YPPQRJKPPZKEDH-KRWDZBQOSA-N 1 3 323.525 3.092 20 30 DGEDHO C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001155612256 1089186214 /nfs/dbraw/zinc/18/62/14/1089186214.db2.gz RMILWQZBRQCNIK-MSOLQXFVSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001155612256 1089186222 /nfs/dbraw/zinc/18/62/22/1089186222.db2.gz RMILWQZBRQCNIK-MSOLQXFVSA-N 1 3 323.525 3.044 20 30 DGEDHO CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CN(CC)CC ZINC001155900559 1089294136 /nfs/dbraw/zinc/29/41/36/1089294136.db2.gz YXTMBSOBTSONAT-QGZVFWFLSA-N 1 3 313.530 3.125 20 30 DGEDHO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CN(CC)CC ZINC001155900559 1089294146 /nfs/dbraw/zinc/29/41/46/1089294146.db2.gz YXTMBSOBTSONAT-QGZVFWFLSA-N 1 3 313.530 3.125 20 30 DGEDHO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1CCCC ZINC001156306395 1089473022 /nfs/dbraw/zinc/47/30/22/1089473022.db2.gz QPSOTYVOFOQGTO-MSOLQXFVSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1CCCC ZINC001156306395 1089473027 /nfs/dbraw/zinc/47/30/27/1089473027.db2.gz QPSOTYVOFOQGTO-MSOLQXFVSA-N 1 3 323.525 3.044 20 30 DGEDHO CC(=Nc1nc(C)nc2ccoc21)NCc1cccc(C[NH3+])c1 ZINC001163466998 1090193090 /nfs/dbraw/zinc/19/30/90/1090193090.db2.gz XFECIZIBXSIXSH-UHFFFAOYSA-N 1 3 309.373 3.020 20 30 DGEDHO N=C(Nc1ccccc1CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC001163683773 1090232568 /nfs/dbraw/zinc/23/25/68/1090232568.db2.gz HUIYIUWYESVCPV-UHFFFAOYSA-N 1 3 307.319 3.244 20 30 DGEDHO C=CC[N@@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)C(C)(C)C ZINC001139259797 1091504300 /nfs/dbraw/zinc/50/43/00/1091504300.db2.gz BQRFHMKYPMKRQT-UHFFFAOYSA-N 1 3 306.450 3.249 20 30 DGEDHO C=CC[N@H+](Cc1cc(C[NH+](C)C)c([O-])c(OC)c1)C(C)(C)C ZINC001139259797 1091504308 /nfs/dbraw/zinc/50/43/08/1091504308.db2.gz BQRFHMKYPMKRQT-UHFFFAOYSA-N 1 3 306.450 3.249 20 30 DGEDHO C=CCCCCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001208454689 1092359709 /nfs/dbraw/zinc/35/97/09/1092359709.db2.gz ZKSCEBOGWJBPDP-KRWDZBQOSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001209203466 1092693659 /nfs/dbraw/zinc/69/36/59/1092693659.db2.gz OEOLRANZOJNXKK-MOPGFXCFSA-N 1 3 306.494 3.023 20 30 DGEDHO C=CCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001209203466 1092693664 /nfs/dbraw/zinc/69/36/64/1092693664.db2.gz OEOLRANZOJNXKK-MOPGFXCFSA-N 1 3 306.494 3.023 20 30 DGEDHO CCCCCCC[NH2+]CCNC(=O)CN(C)CCCCCC ZINC001135440077 1094543328 /nfs/dbraw/zinc/54/33/28/1094543328.db2.gz DTMGOQGMJXOXPJ-UHFFFAOYSA-N 1 3 313.530 3.175 20 30 DGEDHO CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135980349 1094773740 /nfs/dbraw/zinc/77/37/40/1094773740.db2.gz ODDRWTBIYHJGFN-DLBZAZTESA-N 1 3 313.530 3.172 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001340107503 1095865124 /nfs/dbraw/zinc/86/51/24/1095865124.db2.gz YRPQZGLNMXHJLR-IKGGRYGDSA-N 1 3 311.514 3.005 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001340107503 1095865136 /nfs/dbraw/zinc/86/51/36/1095865136.db2.gz YRPQZGLNMXHJLR-IKGGRYGDSA-N 1 3 311.514 3.005 20 30 DGEDHO C=CCC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171237694 1095890471 /nfs/dbraw/zinc/89/04/71/1095890471.db2.gz RWFQESHXFMXMSE-IRXDYDNUSA-N 1 3 323.525 3.090 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001341148418 1096123440 /nfs/dbraw/zinc/12/34/40/1096123440.db2.gz LJSAYOGSQZGKLU-IRXDYDNUSA-N 1 3 323.525 3.055 20 30 DGEDHO Cc1c[nH+]ccc1N1CCN([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172312932 1097098327 /nfs/dbraw/zinc/09/83/27/1097098327.db2.gz MHHUYSZSQDAUQA-KRWDZBQOSA-N 1 3 320.440 3.015 20 30 DGEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001175571673 1098100534 /nfs/dbraw/zinc/10/05/34/1098100534.db2.gz DPTLYAWXSYBHOP-ZWKOTPCHSA-N 1 3 323.525 3.090 20 30 DGEDHO N#Cc1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235430747 1099027119 /nfs/dbraw/zinc/02/71/19/1099027119.db2.gz XTYASOUMMJKWPY-CVEARBPZSA-N 1 3 317.864 3.423 20 30 DGEDHO CCCCCCC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534517 1099120864 /nfs/dbraw/zinc/12/08/64/1099120864.db2.gz NQCALVONSMOPFC-SQNIBIBYSA-N 1 3 323.525 3.020 20 30 DGEDHO [NH3+]C1CC2(C1)CN(Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001235819156 1099194269 /nfs/dbraw/zinc/19/42/69/1099194269.db2.gz AXCPLUARPIBQME-UHFFFAOYSA-N 1 3 302.421 3.010 20 30 DGEDHO COc1cc(C[N@H+](CC(C)(C)C)C2CCNCC2)ccc1C#N ZINC001236459242 1099622247 /nfs/dbraw/zinc/62/22/47/1099622247.db2.gz JKFNGUKOQGAJSK-UHFFFAOYSA-N 1 3 315.461 3.167 20 30 DGEDHO COc1cc(C[N@@H+](CC(C)(C)C)C2CCNCC2)ccc1C#N ZINC001236459242 1099622256 /nfs/dbraw/zinc/62/22/56/1099622256.db2.gz JKFNGUKOQGAJSK-UHFFFAOYSA-N 1 3 315.461 3.167 20 30 DGEDHO C[NH+]1CCC2(CCN(Cc3cc(Cl)cc(C#N)c3)C2)CC1 ZINC001237752995 1100238832 /nfs/dbraw/zinc/23/88/32/1100238832.db2.gz HJZLCTPZYBTTIR-UHFFFAOYSA-N 1 3 303.837 3.129 20 30 DGEDHO C[C@H]1CC(=O)C=C(c2cccc(CN3CCC(C[NH3+])CC3)c2)C1 ZINC001242744089 1102321355 /nfs/dbraw/zinc/32/13/55/1102321355.db2.gz HUOOCNFBLPADAB-OAHLLOKOSA-N 1 3 312.457 3.240 20 30 DGEDHO CCCCCCCC[NH+]1CCC(N2CCC(C(N)=O)CC2)CC1 ZINC001201840323 1102745601 /nfs/dbraw/zinc/74/56/01/1102745601.db2.gz TUYGHRBZCZHMDW-UHFFFAOYSA-N 1 3 323.525 3.009 20 30 DGEDHO CCCCCCCCCC[C@@H](O)CN[C@@H](C1CC1)C1C[NH2+]C1 ZINC001246018458 1104354044 /nfs/dbraw/zinc/35/40/44/1104354044.db2.gz FUKJWIHMPYPPKI-MOPGFXCFSA-N 1 3 310.526 3.466 20 30 DGEDHO CCCCCCCC[N@H+](C)C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246044766 1104357704 /nfs/dbraw/zinc/35/77/04/1104357704.db2.gz QLXWBEKRIJJFEN-RBUKOAKNSA-N 1 3 306.494 3.210 20 30 DGEDHO CCCCCCCC[N@@H+](C)C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246044766 1104357714 /nfs/dbraw/zinc/35/77/14/1104357714.db2.gz QLXWBEKRIJJFEN-RBUKOAKNSA-N 1 3 306.494 3.210 20 30 DGEDHO C[C@@H]1CC[C@@H](CNC2CCC(C#N)(c3ccccc3)CC2)[NH2+]C1 ZINC001246104089 1104388834 /nfs/dbraw/zinc/38/88/34/1104388834.db2.gz JETJEPCXTFBBDH-OTBHMBEGSA-N 1 3 311.473 3.368 20 30 DGEDHO C#Cc1ccc(C[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246270035 1104466965 /nfs/dbraw/zinc/46/69/65/1104466965.db2.gz ZYUGWZJLQWNQPZ-NHCUHLMSSA-N 1 3 304.437 3.121 20 30 DGEDHO C#Cc1ccc(C[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246270036 1104467990 /nfs/dbraw/zinc/46/79/90/1104467990.db2.gz ZYUGWZJLQWNQPZ-RTWAWAEBSA-N 1 3 304.437 3.121 20 30 DGEDHO CCCCCCCC[C@H](CCC)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246403596 1104529943 /nfs/dbraw/zinc/52/99/43/1104529943.db2.gz GNESVZRBKVFKBP-IRXDYDNUSA-N 1 3 313.530 3.478 20 30 DGEDHO N#Cc1ccc(C2CCC([N@@H+]3C[C@H]4CC[C@@H](C3)NC4)CC2)cc1 ZINC001246868374 1104715358 /nfs/dbraw/zinc/71/53/58/1104715358.db2.gz SIZSLRZUIUEPAG-VHBXLISGSA-N 1 3 309.457 3.268 20 30 DGEDHO N#Cc1ccc(C2CCC([N@H+]3C[C@H]4CC[C@@H](C3)NC4)CC2)cc1 ZINC001246868374 1104715366 /nfs/dbraw/zinc/71/53/66/1104715366.db2.gz SIZSLRZUIUEPAG-VHBXLISGSA-N 1 3 309.457 3.268 20 30 DGEDHO C=CCOc1ccc(C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC001275956016 1104967655 /nfs/dbraw/zinc/96/76/55/1104967655.db2.gz CQGNASNTLJAXJG-IBGZPJMESA-N 1 3 300.446 3.169 20 30 DGEDHO C=CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC001275956016 1104967659 /nfs/dbraw/zinc/96/76/59/1104967659.db2.gz CQGNASNTLJAXJG-IBGZPJMESA-N 1 3 300.446 3.169 20 30 DGEDHO CCCCCCCCCc1cn(CCCC[NH2+]CCCN)nn1 ZINC001254164858 1106028657 /nfs/dbraw/zinc/02/86/57/1106028657.db2.gz YTBVOWQUUNXIHI-UHFFFAOYSA-N 1 3 323.529 3.290 20 30 DGEDHO N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)C1 ZINC001254665580 1106127587 /nfs/dbraw/zinc/12/75/87/1106127587.db2.gz OKJTXJFUMGCWHD-IEBWSBKVSA-N 1 3 324.472 3.062 20 30 DGEDHO C=CCCOCCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272727851 210132883 /nfs/dbraw/zinc/13/28/83/210132883.db2.gz GNWANZLGKPYIHM-PKOBYXMFSA-N 1 3 302.462 3.079 20 30 DGEDHO C=CCCOCCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272727851 210132885 /nfs/dbraw/zinc/13/28/85/210132885.db2.gz GNWANZLGKPYIHM-PKOBYXMFSA-N 1 3 302.462 3.079 20 30 DGEDHO COc1ccc(CNCCCC[NH+]2CCC(C)CC2)cc1C#N ZINC000174272886 198313918 /nfs/dbraw/zinc/31/39/18/198313918.db2.gz SVHCCDMRINIDEA-UHFFFAOYSA-N 1 3 315.461 3.169 20 30 DGEDHO N#Cc1ccccc1CSCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422999709 283215043 /nfs/dbraw/zinc/21/50/43/283215043.db2.gz YHEGWMFBHAYXKP-IAGOWNOFSA-N 1 3 303.475 3.041 20 30 DGEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000602517679 400485981 /nfs/dbraw/zinc/48/59/81/400485981.db2.gz DHBWWRZKTLYIMT-ZHALLVOQSA-N 1 3 321.509 3.185 20 30 DGEDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000597012049 400538561 /nfs/dbraw/zinc/53/85/61/400538561.db2.gz KZEQVRXVRCTJTK-APWZRJJASA-N 1 3 311.473 3.404 20 30 DGEDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000597012049 400538563 /nfs/dbraw/zinc/53/85/63/400538563.db2.gz KZEQVRXVRCTJTK-APWZRJJASA-N 1 3 311.473 3.404 20 30 DGEDHO COc1ccc(CN(C)CCCC[NH+]2CCCCC2)cc1C#N ZINC000603111406 400643954 /nfs/dbraw/zinc/64/39/54/400643954.db2.gz QEMKWHWVVXBSOT-UHFFFAOYSA-N 1 3 315.461 3.265 20 30 DGEDHO N#CC1(CCN2CCCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000602845782 400589066 /nfs/dbraw/zinc/58/90/66/400589066.db2.gz BMWYDMSRJLOESE-UHFFFAOYSA-N 1 3 312.461 3.458 20 30 DGEDHO C[C@H](c1cccc(C#N)c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847091 400589663 /nfs/dbraw/zinc/58/96/63/400589663.db2.gz IDPJAWMDBOYZHQ-MRXNPFEDSA-N 1 3 306.413 3.227 20 30 DGEDHO CN1CCCC[C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000598995249 400923385 /nfs/dbraw/zinc/92/33/85/400923385.db2.gz WWDPJRRIRIRKCC-GOSISDBHSA-N 1 3 315.461 3.191 20 30 DGEDHO C=C(CNCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000620757795 400967433 /nfs/dbraw/zinc/96/74/33/400967433.db2.gz IRPXJVIEFXOVQM-UHFFFAOYSA-N 1 3 310.441 3.430 20 30 DGEDHO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000192917441 165310353 /nfs/dbraw/zinc/31/03/53/165310353.db2.gz XVSWRVDPANIXQG-INIZCTEOSA-N 1 3 311.454 3.231 20 30 DGEDHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(C#N)cc2F)C1 ZINC000269404625 432169679 /nfs/dbraw/zinc/16/96/79/432169679.db2.gz HGTYKJNHYZUGMZ-OAHLLOKOSA-N 1 3 303.425 3.299 20 30 DGEDHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(C#N)cc2F)C1 ZINC000269404625 432169683 /nfs/dbraw/zinc/16/96/83/432169683.db2.gz HGTYKJNHYZUGMZ-OAHLLOKOSA-N 1 3 303.425 3.299 20 30 DGEDHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185813358 228398761 /nfs/dbraw/zinc/39/87/61/228398761.db2.gz CSCKMAYEAYLHDJ-ZWKOTPCHSA-N 1 3 315.461 3.189 20 30 DGEDHO CCc1cc(N2CCCN(Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000450233224 267246382 /nfs/dbraw/zinc/24/63/82/267246382.db2.gz NCZFBNWYEBXMPB-UHFFFAOYSA-N 1 3 320.440 3.228 20 30 DGEDHO N#Cc1csc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192924102 432428455 /nfs/dbraw/zinc/42/84/55/432428455.db2.gz GJQOCWLLFLLWTE-INIZCTEOSA-N 1 3 311.454 3.231 20 30 DGEDHO C=CCC[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000278983232 432924158 /nfs/dbraw/zinc/92/41/58/432924158.db2.gz POXUQMUXWXFVGB-SJORKVTESA-N 1 3 306.450 3.113 20 30 DGEDHO C=CCC[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000278983232 432924161 /nfs/dbraw/zinc/92/41/61/432924161.db2.gz POXUQMUXWXFVGB-SJORKVTESA-N 1 3 306.450 3.113 20 30 DGEDHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc(C#N)c(F)c1 ZINC000421336936 433484990 /nfs/dbraw/zinc/48/49/90/433484990.db2.gz XOUPXHYOYVHJJO-HNNXBMFYSA-N 1 3 303.425 3.442 20 30 DGEDHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc(C#N)c(F)c1 ZINC000421336936 433484998 /nfs/dbraw/zinc/48/49/98/433484998.db2.gz XOUPXHYOYVHJJO-HNNXBMFYSA-N 1 3 303.425 3.442 20 30 DGEDHO C#CCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000377622496 433931527 /nfs/dbraw/zinc/93/15/27/433931527.db2.gz HWSKYARNIYKREO-DFNIBXOVSA-N 1 3 312.457 3.146 20 30 DGEDHO C#CCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000377622496 433931535 /nfs/dbraw/zinc/93/15/35/433931535.db2.gz HWSKYARNIYKREO-DFNIBXOVSA-N 1 3 312.457 3.146 20 30 DGEDHO N#CCC1(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000366892129 434527525 /nfs/dbraw/zinc/52/75/25/434527525.db2.gz YLIGWVOGUOAOSK-GBESFXJTSA-N 1 3 309.457 3.180 20 30 DGEDHO N#CCC1(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000366892129 434527534 /nfs/dbraw/zinc/52/75/34/434527534.db2.gz YLIGWVOGUOAOSK-GBESFXJTSA-N 1 3 309.457 3.180 20 30 DGEDHO N#CCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000366892129 434527541 /nfs/dbraw/zinc/52/75/41/434527541.db2.gz YLIGWVOGUOAOSK-GBESFXJTSA-N 1 3 309.457 3.180 20 30 DGEDHO CC(C)(CC#N)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000459734029 434684474 /nfs/dbraw/zinc/68/44/74/434684474.db2.gz RGDRFIVQOGSMLB-GBESFXJTSA-N 1 3 311.473 3.426 20 30 DGEDHO CC(C)(CC#N)CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000459734029 434684479 /nfs/dbraw/zinc/68/44/79/434684479.db2.gz RGDRFIVQOGSMLB-GBESFXJTSA-N 1 3 311.473 3.426 20 30 DGEDHO CC(C)(CC#N)CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000459734029 434684486 /nfs/dbraw/zinc/68/44/86/434684486.db2.gz RGDRFIVQOGSMLB-GBESFXJTSA-N 1 3 311.473 3.426 20 30 DGEDHO C=CCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000651322005 436164968 /nfs/dbraw/zinc/16/49/68/436164968.db2.gz PSYJGYPQBYVTBD-AQNXPRMDSA-N 1 3 314.473 3.222 20 30 DGEDHO C=CCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000651322005 436164974 /nfs/dbraw/zinc/16/49/74/436164974.db2.gz PSYJGYPQBYVTBD-AQNXPRMDSA-N 1 3 314.473 3.222 20 30 DGEDHO C=CCC[C@@H](CC)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658136631 436385101 /nfs/dbraw/zinc/38/51/01/436385101.db2.gz DQADIZOJKUMKDV-RTBURBONSA-N 1 3 302.462 3.088 20 30 DGEDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(OCC#N)cc1 ZINC000181859669 533985781 /nfs/dbraw/zinc/98/57/81/533985781.db2.gz NAFOHMYYLHNHRZ-UAGQMJEPSA-N 1 3 301.434 3.112 20 30 DGEDHO C=CCOCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000339022630 526772647 /nfs/dbraw/zinc/77/26/47/526772647.db2.gz QLVRUUIRIOXOHD-VQTJNVASSA-N 1 3 314.473 3.176 20 30 DGEDHO C=CCOCC[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000339022630 526772648 /nfs/dbraw/zinc/77/26/48/526772648.db2.gz QLVRUUIRIOXOHD-VQTJNVASSA-N 1 3 314.473 3.176 20 30 DGEDHO C=CCOc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000347108614 526865562 /nfs/dbraw/zinc/86/55/62/526865562.db2.gz OYEHNGHJFQYOSX-LJQANCHMSA-N 1 3 300.446 3.215 20 30 DGEDHO C=CCOc1ccccc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347232055 526932469 /nfs/dbraw/zinc/93/24/69/526932469.db2.gz YMUDKGDXERKFHC-GOSISDBHSA-N 1 3 300.446 3.215 20 30 DGEDHO CC(C)C[C@H](CNC(=O)C(C)C#N)[NH2+][C@H](C)c1ccccc1 ZINC000347100261 528528136 /nfs/dbraw/zinc/52/81/36/528528136.db2.gz FUWVKXKRTKDDHE-ZMSDIMECSA-N 1 3 301.434 3.028 20 30 DGEDHO CC1(C#N)CCC([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000449250378 535273252 /nfs/dbraw/zinc/27/32/52/535273252.db2.gz LPFUUWDAVSAHIC-UHFFFAOYSA-N 1 3 312.461 3.360 20 30 DGEDHO C=C1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678242600 548651964 /nfs/dbraw/zinc/65/19/64/548651964.db2.gz OCWNPZAIAGUQAC-UHFFFAOYSA-N 1 3 300.446 3.313 20 30 DGEDHO C=CCCC[C@H](C)[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000678722479 548752656 /nfs/dbraw/zinc/75/26/56/548752656.db2.gz ZCFIPBXCOLPPMY-SFHVURJKSA-N 1 3 307.526 3.222 20 30 DGEDHO C[NH+]1CCC(NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000749127697 575629088 /nfs/dbraw/zinc/62/90/88/575629088.db2.gz BZLFZUZBHYLQRD-UHFFFAOYSA-N 1 3 311.454 3.471 20 30 DGEDHO C[C@@H](NC1CCC(C)([NH+]2CCCC2)CC1)c1cc(C#N)ccn1 ZINC000903253711 619745297 /nfs/dbraw/zinc/74/52/97/619745297.db2.gz ORQIXGJTRANHNP-LSJNQWAISA-N 1 3 312.461 3.401 20 30 DGEDHO N#Cc1cc(Cl)cc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000903463424 619777439 /nfs/dbraw/zinc/77/74/39/619777439.db2.gz ASKXCQRJTRRHFO-KRWDZBQOSA-N 1 3 317.864 3.423 20 30 DGEDHO N#Cc1cc(Cl)cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000903453984 619779268 /nfs/dbraw/zinc/77/92/68/619779268.db2.gz QSSZZNCSBMYUEF-IAGOWNOFSA-N 1 3 317.864 3.423 20 30 DGEDHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(OCC#N)cc1 ZINC000873238032 623086949 /nfs/dbraw/zinc/08/69/49/623086949.db2.gz VRTIQUMTXZTJKC-OAHLLOKOSA-N 1 3 321.424 3.085 20 30 DGEDHO C=CCC[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccco1 ZINC000873294117 623106405 /nfs/dbraw/zinc/10/64/05/623106405.db2.gz SUHBIXVUQDOIGQ-HOTGVXAUSA-N 1 3 304.434 3.035 20 30 DGEDHO C#CCOc1ccc([C@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000790751780 625692963 /nfs/dbraw/zinc/69/29/63/625692963.db2.gz XOGZQIMMTAJWSD-KRWDZBQOSA-N 1 3 314.473 3.471 20 30 DGEDHO N#CCC1(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886605637 627171840 /nfs/dbraw/zinc/17/18/40/627171840.db2.gz VWMGVVAKIFKEOW-OTWHNJEPSA-N 1 3 309.457 3.323 20 30 DGEDHO N#CCC1(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886605637 627171841 /nfs/dbraw/zinc/17/18/41/627171841.db2.gz VWMGVVAKIFKEOW-OTWHNJEPSA-N 1 3 309.457 3.323 20 30 DGEDHO N#CCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886605637 627171843 /nfs/dbraw/zinc/17/18/43/627171843.db2.gz VWMGVVAKIFKEOW-OTWHNJEPSA-N 1 3 309.457 3.323 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NC[C@H](C)N2CCC(C)CC2)cc1C ZINC000104181355 627412708 /nfs/dbraw/zinc/41/27/08/627412708.db2.gz AVXOTYOGVDOKBO-INIZCTEOSA-N 1 3 302.466 3.150 20 30 DGEDHO C#CCOc1cccc(Cl)c1CNCCCC[N@@H+](C)C1CC1 ZINC000835062670 629841450 /nfs/dbraw/zinc/84/14/50/629841450.db2.gz FGEHSSXYXHBVMM-UHFFFAOYSA-N 1 3 320.864 3.316 20 30 DGEDHO C#CCOc1cccc(Cl)c1CNCCCC[N@H+](C)C1CC1 ZINC000835062670 629841456 /nfs/dbraw/zinc/84/14/56/629841456.db2.gz FGEHSSXYXHBVMM-UHFFFAOYSA-N 1 3 320.864 3.316 20 30 DGEDHO C=C[C@H](C)ON=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000844622891 630744190 /nfs/dbraw/zinc/74/41/90/630744190.db2.gz CRZJXWKHZQHVEM-HNNXBMFYSA-N 1 3 301.434 3.142 20 30 DGEDHO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000303882711 657572151 /nfs/dbraw/zinc/57/21/51/657572151.db2.gz IIISFKROFIPHLR-JKSUJKDBSA-N 1 3 302.466 3.293 20 30 DGEDHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])Nc1cccc(OC)c1 ZINC000303896530 657574351 /nfs/dbraw/zinc/57/43/51/657574351.db2.gz UOUATPBNIVRTIV-MRXNPFEDSA-N 1 3 318.465 3.076 20 30 DGEDHO CCc1cccc(NC(=[NH2+])NC[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000303902924 657577320 /nfs/dbraw/zinc/57/73/20/657577320.db2.gz UIGNKIOTDPHHSK-GJZGRUSLSA-N 1 3 302.466 3.096 20 30 DGEDHO C=CCN1CCC(/[NH+]=C/c2ccc(N(CC)CC)cc2O)CC1 ZINC000171647798 659293661 /nfs/dbraw/zinc/29/36/61/659293661.db2.gz OKBUQKVDPSVQTP-HMMYKYKNSA-N 1 3 315.461 3.308 20 30 DGEDHO C[C@H](C#N)Oc1ccc(CNCc2cccc(C[NH+](C)C)c2)cc1 ZINC000237578382 659930029 /nfs/dbraw/zinc/93/00/29/659930029.db2.gz WQEWMVMRNGUQOZ-MRXNPFEDSA-N 1 3 323.440 3.329 20 30 DGEDHO C[C@H]1CN(CCCCC2(C#N)CCC2)CCN1c1cc[nH+]cc1 ZINC000931683508 661497680 /nfs/dbraw/zinc/49/76/80/661497680.db2.gz KLJZIYRUIHDITI-KRWDZBQOSA-N 1 3 312.461 3.456 20 30 DGEDHO CCCCCCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001569528140 1190713659 /nfs/dbraw/zinc/71/36/59/1190713659.db2.gz UCHAVZSRMFGJQH-ROUUACIJSA-N 1 3 323.525 3.022 20 30 DGEDHO N=C(Nc1ccc2c(c1)C[NH2+]C2)c1ccc(C(F)(F)F)cc1 ZINC001163680059 1090231469 /nfs/dbraw/zinc/23/14/69/1090231469.db2.gz IIEQQRWRNBLJJX-UHFFFAOYSA-N 1 3 305.303 3.346 20 30 DGEDHO CC1([NH+]2CCC2)CCC(NCc2cc(C#N)cnc2Cl)CC1 ZINC001336858360 1094762642 /nfs/dbraw/zinc/76/26/42/1094762642.db2.gz LXALSSMMXQWHIA-UHFFFAOYSA-N 1 3 318.852 3.103 20 30 DGEDHO C=CCOc1ccccc1CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222314408 1095546734 /nfs/dbraw/zinc/54/67/34/1095546734.db2.gz FSNZRWQXGYOJKD-IBGZPJMESA-N 1 3 300.446 3.360 20 30 DGEDHO C=CCC[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171237701 1095889561 /nfs/dbraw/zinc/88/95/61/1095889561.db2.gz RWFQESHXFMXMSE-SJORKVTESA-N 1 3 323.525 3.090 20 30 DGEDHO CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146600658 1096069312 /nfs/dbraw/zinc/06/93/12/1096069312.db2.gz HZJJROGJEMUKQN-DLBZAZTESA-N 1 3 313.530 3.170 20 30 DGEDHO CCN([C@H]1CCOC1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173337346 1097422075 /nfs/dbraw/zinc/42/20/75/1097422075.db2.gz ILMWIIBOJBSDRW-TVPLGVNVSA-N 1 3 319.493 3.034 20 30 DGEDHO N#Cc1ccc(CC2CCN(CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235787998 1099178889 /nfs/dbraw/zinc/17/88/89/1099178889.db2.gz AYSRJOLHNHITCA-HXUWFJFHSA-N 1 3 311.473 3.345 20 30 DGEDHO C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1CC ZINC001180373081 1099400700 /nfs/dbraw/zinc/40/07/00/1099400700.db2.gz RLDAQAPMFLSSFA-SFHVURJKSA-N 1 3 323.525 3.093 20 30 DGEDHO N#Cc1ccc(CC[N@H+](Cc2ccccc2)C2CCNCC2)cc1 ZINC001236284939 1099516979 /nfs/dbraw/zinc/51/69/79/1099516979.db2.gz AJECDRCTVMOCSL-UHFFFAOYSA-N 1 3 319.452 3.355 20 30 DGEDHO N#Cc1ccc(CC[N@@H+](Cc2ccccc2)C2CCNCC2)cc1 ZINC001236284939 1099516990 /nfs/dbraw/zinc/51/69/90/1099516990.db2.gz AJECDRCTVMOCSL-UHFFFAOYSA-N 1 3 319.452 3.355 20 30 DGEDHO N#Cc1ccc(CCN(Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236284939 1099516999 /nfs/dbraw/zinc/51/69/99/1099516999.db2.gz AJECDRCTVMOCSL-UHFFFAOYSA-N 1 3 319.452 3.355 20 30 DGEDHO C=CCCCCCC[C@@H](O)C[NH2+]C1(CC2CC2)CCNCC1 ZINC001245997470 1104348567 /nfs/dbraw/zinc/34/85/67/1104348567.db2.gz PBRMCSIHYBNIEL-GOSISDBHSA-N 1 3 308.510 3.386 20 30 DGEDHO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246039502 1104357073 /nfs/dbraw/zinc/35/70/73/1104357073.db2.gz NEHHQIXEYYRGSI-BZSNNMDCSA-N 1 3 314.489 3.121 20 30 DGEDHO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246039502 1104357084 /nfs/dbraw/zinc/35/70/84/1104357084.db2.gz NEHHQIXEYYRGSI-BZSNNMDCSA-N 1 3 314.489 3.121 20 30 DGEDHO CCCC[C@@H]1C[C@@H](NCCCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246327918 1104492542 /nfs/dbraw/zinc/49/25/42/1104492542.db2.gz KFZFXVSOVILAPJ-MSOLQXFVSA-N 1 3 315.461 3.228 20 30 DGEDHO CC(C)(C)[C@H]1C[C@@H](NCCCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246328304 1104493081 /nfs/dbraw/zinc/49/30/81/1104493081.db2.gz KZQZMANGPOWFMS-FUHWJXTLSA-N 1 3 315.461 3.083 20 30 DGEDHO C(#CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1)c1ccccc1 ZINC001246919387 1104736892 /nfs/dbraw/zinc/73/68/92/1104736892.db2.gz ATXSKSXWPKFTFI-WKCHPHFGSA-N 1 3 308.469 3.423 20 30 DGEDHO C(#CC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1)c1ccccc1 ZINC001246919387 1104736896 /nfs/dbraw/zinc/73/68/96/1104736896.db2.gz ATXSKSXWPKFTFI-WKCHPHFGSA-N 1 3 308.469 3.423 20 30 DGEDHO N#C[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001254651039 1106122495 /nfs/dbraw/zinc/12/24/95/1106122495.db2.gz ZWAHQUKHEQZXED-WMZOPIPTSA-N 1 3 315.436 3.320 20 30 DGEDHO N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001254668675 1106128369 /nfs/dbraw/zinc/12/83/69/1106128369.db2.gz HTYGRVUVTXHCPQ-RTBURBONSA-N 1 3 309.457 3.277 20 30 DGEDHO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001254673744 1106130487 /nfs/dbraw/zinc/13/04/87/1106130487.db2.gz OFHICNDNPFVDSC-ZRNYENFQSA-N 1 3 309.457 3.133 20 30 DGEDHO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001254673744 1106130489 /nfs/dbraw/zinc/13/04/89/1106130489.db2.gz OFHICNDNPFVDSC-ZRNYENFQSA-N 1 3 309.457 3.133 20 30 DGEDHO C=CCO[C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001261360349 1107414150 /nfs/dbraw/zinc/41/41/50/1107414150.db2.gz ITTLOSIETUJZIA-HXUWFJFHSA-N 1 3 314.473 3.449 20 30 DGEDHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000174429679 198333582 /nfs/dbraw/zinc/33/35/82/198333582.db2.gz MNFVLGUNVGTVRM-INIZCTEOSA-N 1 3 323.440 3.349 20 30 DGEDHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(C#N)c(F)c1 ZINC000271906909 209313550 /nfs/dbraw/zinc/31/35/50/209313550.db2.gz CHUVKILQJIUROP-CYBMUJFWSA-N 1 3 301.409 3.222 20 30 DGEDHO C[C@@H]1CN(CC2CC[NH+](CC(C)(C)CCC#N)CC2)C[C@H](C)O1 ZINC000092587611 431910367 /nfs/dbraw/zinc/91/03/67/431910367.db2.gz JYXAZAPPCFIEGM-CALCHBBNSA-N 1 3 321.509 3.138 20 30 DGEDHO C#CCSCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193006249 432438615 /nfs/dbraw/zinc/43/86/15/432438615.db2.gz APFBWZWCCLHGJN-YQQQUEKLSA-N 1 3 314.498 3.138 20 30 DGEDHO C#CCSCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193006249 432438619 /nfs/dbraw/zinc/43/86/19/432438619.db2.gz APFBWZWCCLHGJN-YQQQUEKLSA-N 1 3 314.498 3.138 20 30 DGEDHO C=CCCCCCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000193323660 432464749 /nfs/dbraw/zinc/46/47/49/432464749.db2.gz KJWYRJROJXBOLN-KDURUIRLSA-N 1 3 307.526 3.223 20 30 DGEDHO C=CCCCCCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000193323660 432464751 /nfs/dbraw/zinc/46/47/51/432464751.db2.gz KJWYRJROJXBOLN-KDURUIRLSA-N 1 3 307.526 3.223 20 30 DGEDHO CC[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000278875683 432911870 /nfs/dbraw/zinc/91/18/70/432911870.db2.gz XLUCFYMIRJGQRJ-VQIMIIECSA-N 1 3 315.461 3.100 20 30 DGEDHO CC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000278875683 432911873 /nfs/dbraw/zinc/91/18/73/432911873.db2.gz XLUCFYMIRJGQRJ-VQIMIIECSA-N 1 3 315.461 3.100 20 30 DGEDHO N#CCC1(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000366892130 434529055 /nfs/dbraw/zinc/52/90/55/434529055.db2.gz YLIGWVOGUOAOSK-GUDVDZBRSA-N 1 3 309.457 3.180 20 30 DGEDHO N#CCC1(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000366892130 434529064 /nfs/dbraw/zinc/52/90/64/434529064.db2.gz YLIGWVOGUOAOSK-GUDVDZBRSA-N 1 3 309.457 3.180 20 30 DGEDHO N#CCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000366892130 434529070 /nfs/dbraw/zinc/52/90/70/434529070.db2.gz YLIGWVOGUOAOSK-GUDVDZBRSA-N 1 3 309.457 3.180 20 30 DGEDHO C=CCOCCN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638970185 435123440 /nfs/dbraw/zinc/12/34/40/435123440.db2.gz PAHMVBOPMOKTBL-HKUYNNGSSA-N 1 3 300.446 3.147 20 30 DGEDHO C=CCOCCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638970185 435123444 /nfs/dbraw/zinc/12/34/44/435123444.db2.gz PAHMVBOPMOKTBL-HKUYNNGSSA-N 1 3 300.446 3.147 20 30 DGEDHO COc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)ccc1C#N ZINC000514774942 435437370 /nfs/dbraw/zinc/43/73/70/435437370.db2.gz ZDLDCGHEVVTPEV-UHFFFAOYSA-N 1 3 315.461 3.119 20 30 DGEDHO COc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)ccc1C#N ZINC000514774942 435437373 /nfs/dbraw/zinc/43/73/73/435437373.db2.gz ZDLDCGHEVVTPEV-UHFFFAOYSA-N 1 3 315.461 3.119 20 30 DGEDHO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000657594845 436256879 /nfs/dbraw/zinc/25/68/79/436256879.db2.gz DEBMJTRNLZKSJS-LSTHTHJFSA-N 1 3 314.473 3.088 20 30 DGEDHO C=CCOc1ccc(CNCc2ccc(C[NH3+])cc2)cc1OC ZINC000572243049 337600009 /nfs/dbraw/zinc/60/00/09/337600009.db2.gz JKTJCRDFSKARIA-UHFFFAOYSA-N 1 3 312.413 3.009 20 30 DGEDHO C=C(C)C[NH+]1CCC(NCc2ccc(OC)cc2CC)CC1 ZINC000501425137 340080652 /nfs/dbraw/zinc/08/06/52/340080652.db2.gz OBRDZLVUSDZEDW-UHFFFAOYSA-N 1 3 302.462 3.388 20 30 DGEDHO COc1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1C#N ZINC000925583520 618500638 /nfs/dbraw/zinc/50/06/38/618500638.db2.gz MAPFHALFVUOSRW-HNNXBMFYSA-N 1 3 323.440 3.479 20 30 DGEDHO N#Cc1cc(Cl)cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000903454454 619779230 /nfs/dbraw/zinc/77/92/30/619779230.db2.gz ZXIOSWQLTGBPFW-CVEARBPZSA-N 1 3 303.837 3.033 20 30 DGEDHO CCN1CC[C@H]([N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)C[C@@H]1C ZINC000769469960 622530587 /nfs/dbraw/zinc/53/05/87/622530587.db2.gz ILVBLTSYGBDULM-BQFCYCMXSA-N 1 3 315.461 3.282 20 30 DGEDHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)C[C@@H]1C ZINC000769469960 622530589 /nfs/dbraw/zinc/53/05/89/622530589.db2.gz ILVBLTSYGBDULM-BQFCYCMXSA-N 1 3 315.461 3.282 20 30 DGEDHO CCN1CC[C@H]([N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)C[C@H]1C ZINC000769469963 622531056 /nfs/dbraw/zinc/53/10/56/622531056.db2.gz ILVBLTSYGBDULM-RYRKJORJSA-N 1 3 315.461 3.282 20 30 DGEDHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)C[C@H]1C ZINC000769469963 622531058 /nfs/dbraw/zinc/53/10/58/622531058.db2.gz ILVBLTSYGBDULM-RYRKJORJSA-N 1 3 315.461 3.282 20 30 DGEDHO C#CCCCCCCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000876653448 623671319 /nfs/dbraw/zinc/67/13/19/623671319.db2.gz QRBIYWUWAZIUAH-BGYRXZFFSA-N 1 3 319.537 3.061 20 30 DGEDHO C#CCCCCCCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000876653448 623671320 /nfs/dbraw/zinc/67/13/20/623671320.db2.gz QRBIYWUWAZIUAH-BGYRXZFFSA-N 1 3 319.537 3.061 20 30 DGEDHO CCN(CC)c1ccc(/C=[NH+]\C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([O-])c1 ZINC000840707911 630350610 /nfs/dbraw/zinc/35/06/10/630350610.db2.gz BDALNHDBEOBZCB-HJAWVIIPSA-N 1 3 315.461 3.283 20 30 DGEDHO CCN(CC)c1ccc(/C=[NH+]\C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([O-])c1 ZINC000840707911 630350612 /nfs/dbraw/zinc/35/06/12/630350612.db2.gz BDALNHDBEOBZCB-HJAWVIIPSA-N 1 3 315.461 3.283 20 30 DGEDHO CCCCN(CCOCCC#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032899 656161681 /nfs/dbraw/zinc/16/16/81/656161681.db2.gz BLVYQGYGGXHMMM-UHFFFAOYSA-N 1 3 309.498 3.328 20 30 DGEDHO CC[C@@H](CNC(=[NH2+])Nc1cccc(C(C)C)c1)N1CCCC1 ZINC000303876113 657569872 /nfs/dbraw/zinc/56/98/72/657569872.db2.gz DQDGMWRLQVQKCM-KRWDZBQOSA-N 1 3 302.466 3.411 20 30 DGEDHO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)N2CCC(C)CC2)c1 ZINC000303878974 657570174 /nfs/dbraw/zinc/57/01/74/657570174.db2.gz JKCCWUFEFGAOOU-INIZCTEOSA-N 1 3 302.466 3.150 20 30 DGEDHO CCc1cccc(NC(=[NH2+])NC[C@H](C)N2CCCC[C@@H]2C)c1 ZINC000303886659 657571545 /nfs/dbraw/zinc/57/15/45/657571545.db2.gz KLWXKCYSGVXWNE-GJZGRUSLSA-N 1 3 302.466 3.239 20 30 DGEDHO CCCCN1CCCC[C@H]1CNC(=[NH2+])Nc1cccc(OC)c1 ZINC000303896527 657574920 /nfs/dbraw/zinc/57/49/20/657574920.db2.gz UOUATPBNIVRTIV-INIZCTEOSA-N 1 3 318.465 3.076 20 30 DGEDHO CCc1cccc(NC(=[NH2+])NC[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000303902928 657577279 /nfs/dbraw/zinc/57/72/79/657577279.db2.gz UIGNKIOTDPHHSK-LSDHHAIUSA-N 1 3 302.466 3.096 20 30 DGEDHO C#CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000175010955 659914853 /nfs/dbraw/zinc/91/48/53/659914853.db2.gz YSVVVPXODQADDD-ZWKOTPCHSA-N 1 3 300.446 3.051 20 30 DGEDHO C#CCOc1ccc(C[N@@H+](C)C2CCN(CCC)CC2)cc1 ZINC000092165671 662328029 /nfs/dbraw/zinc/32/80/29/662328029.db2.gz HNTLSDIMFNHMCT-UHFFFAOYSA-N 1 3 300.446 3.005 20 30 DGEDHO C#CCOc1ccc(C[N@H+](C)C2CCN(CCC)CC2)cc1 ZINC000092165671 662328031 /nfs/dbraw/zinc/32/80/31/662328031.db2.gz HNTLSDIMFNHMCT-UHFFFAOYSA-N 1 3 300.446 3.005 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001353622833 1180608003 /nfs/dbraw/zinc/60/80/03/1180608003.db2.gz LQSOHUXSUNKNRM-KRWDZBQOSA-N 1 3 323.525 3.057 20 30 DGEDHO CC1CC[NH+](CC[C@@H]2CCCN2CCCSCC#N)CC1 ZINC001473716564 1183793273 /nfs/dbraw/zinc/79/32/73/1183793273.db2.gz IIKQUKMTRBMMEU-KRWDZBQOSA-N 1 3 309.523 3.220 20 30 DGEDHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CCCSCC#N)CC1 ZINC001473716564 1183793277 /nfs/dbraw/zinc/79/32/77/1183793277.db2.gz IIKQUKMTRBMMEU-KRWDZBQOSA-N 1 3 309.523 3.220 20 30 DGEDHO CC1CCN(CC[C@@H]2CCC[N@H+]2CCCSCC#N)CC1 ZINC001473716564 1183793281 /nfs/dbraw/zinc/79/32/81/1183793281.db2.gz IIKQUKMTRBMMEU-KRWDZBQOSA-N 1 3 309.523 3.220 20 30 DGEDHO C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369718 1083280557 /nfs/dbraw/zinc/28/05/57/1083280557.db2.gz RILFAPYANIRZEN-DLBZAZTESA-N 1 3 323.525 3.090 20 30 DGEDHO C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001170750175 1083286224 /nfs/dbraw/zinc/28/62/24/1083286224.db2.gz HDGXMAGFRDPKNZ-QZTJIDSGSA-N 1 3 323.525 3.090 20 30 DGEDHO CCCCCCC[C@@H](C)C(=O)N(CCN(CC)CC)C(N)=[NH2+] ZINC001181134263 1083414980 /nfs/dbraw/zinc/41/49/80/1083414980.db2.gz FXZHKJIWILFUMU-OAHLLOKOSA-N 1 3 312.502 3.047 20 30 DGEDHO C=CCC[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001483338557 1087475352 /nfs/dbraw/zinc/47/53/52/1087475352.db2.gz GGCIQADBEDPRIX-DLBZAZTESA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001483338557 1087475355 /nfs/dbraw/zinc/47/53/55/1087475355.db2.gz GGCIQADBEDPRIX-DLBZAZTESA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCCC[NH2+]C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001202973265 1091676340 /nfs/dbraw/zinc/67/63/40/1091676340.db2.gz CUIIEFOQNDTRMB-UHFFFAOYSA-N 1 3 323.525 3.045 20 30 DGEDHO CCCCCCC[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209631880 1092854737 /nfs/dbraw/zinc/85/47/37/1092854737.db2.gz HPIZMNRAIVSBEV-MSOLQXFVSA-N 1 3 323.525 3.022 20 30 DGEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001210183279 1093070378 /nfs/dbraw/zinc/07/03/78/1093070378.db2.gz NADZFLQENIZVFJ-GOSISDBHSA-N 1 3 323.525 3.045 20 30 DGEDHO C=CCc1cccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1[O-] ZINC001276684284 1093170870 /nfs/dbraw/zinc/17/08/70/1093170870.db2.gz APIMXNDHBAAYTA-UHFFFAOYSA-N 1 3 314.473 3.429 20 30 DGEDHO C=CCc1cccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1[O-] ZINC001276684284 1093170875 /nfs/dbraw/zinc/17/08/75/1093170875.db2.gz APIMXNDHBAAYTA-UHFFFAOYSA-N 1 3 314.473 3.429 20 30 DGEDHO N#CCc1ccccc1CN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222173027 1095478290 /nfs/dbraw/zinc/47/82/90/1095478290.db2.gz PZMOONSJTGDTFI-FQEVSTJZSA-N 1 3 311.473 3.498 20 30 DGEDHO CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146600659 1096070233 /nfs/dbraw/zinc/07/02/33/1096070233.db2.gz HZJJROGJEMUKQN-IAGOWNOFSA-N 1 3 313.530 3.170 20 30 DGEDHO C[NH+]1C(C)(C)CC(NC(=N)c2ccc(Cl)cn2)CC1(C)C ZINC001171622280 1096936049 /nfs/dbraw/zinc/93/60/49/1096936049.db2.gz ZCLKRQAHOLCPCE-UHFFFAOYSA-N 1 3 308.857 3.092 20 30 DGEDHO C[C@H](CCCC#N)N1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001172491674 1097167918 /nfs/dbraw/zinc/16/79/18/1097167918.db2.gz IOPYGQRILYZXIZ-OAHLLOKOSA-N 1 3 303.425 3.244 20 30 DGEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001175571669 1098100220 /nfs/dbraw/zinc/10/02/20/1098100220.db2.gz DPTLYAWXSYBHOP-MSOLQXFVSA-N 1 3 323.525 3.090 20 30 DGEDHO C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001176760461 1098434985 /nfs/dbraw/zinc/43/49/85/1098434985.db2.gz XKYPQFVWKSANLM-ROUUACIJSA-N 1 3 323.525 3.092 20 30 DGEDHO C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001176760459 1098435135 /nfs/dbraw/zinc/43/51/35/1098435135.db2.gz XKYPQFVWKSANLM-MSOLQXFVSA-N 1 3 323.525 3.092 20 30 DGEDHO N#Cc1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235430754 1099025366 /nfs/dbraw/zinc/02/53/66/1099025366.db2.gz XTYASOUMMJKWPY-JKSUJKDBSA-N 1 3 317.864 3.423 20 30 DGEDHO CCCN(CCC[NH+](C)C)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237472923 1100135299 /nfs/dbraw/zinc/13/52/99/1100135299.db2.gz OVQSUTINCFGOIX-UHFFFAOYSA-N 1 3 312.461 3.214 20 30 DGEDHO C[C@@H]1CC(=O)C=C(c2cccc(CN3CCC(C[NH3+])CC3)c2)C1 ZINC001242744088 1102321851 /nfs/dbraw/zinc/32/18/51/1102321851.db2.gz HUOOCNFBLPADAB-HNNXBMFYSA-N 1 3 312.457 3.240 20 30 DGEDHO CCCCCCC[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201037641 1102479412 /nfs/dbraw/zinc/47/94/12/1102479412.db2.gz NEIVMZVVCIMJGZ-UHFFFAOYSA-N 1 3 323.525 3.022 20 30 DGEDHO CCCCCCCCN1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001201814731 1102731388 /nfs/dbraw/zinc/73/13/88/1102731388.db2.gz SEZPEVFGPWPXJQ-UHFFFAOYSA-N 1 3 323.525 3.023 20 30 DGEDHO CCCCCCCCN1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001201814731 1102731395 /nfs/dbraw/zinc/73/13/95/1102731395.db2.gz SEZPEVFGPWPXJQ-UHFFFAOYSA-N 1 3 323.525 3.023 20 30 DGEDHO CCCCCCC[C@@H](C)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001258049865 1103124002 /nfs/dbraw/zinc/12/40/02/1103124002.db2.gz PZKZJHDIPYTZSL-LJQANCHMSA-N 1 3 309.542 3.449 20 30 DGEDHO C=CCCCCCC[C@@H](O)CN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246026882 1104355146 /nfs/dbraw/zinc/35/51/46/1104355146.db2.gz VPDUFNWMRGEKAS-RTBURBONSA-N 1 3 308.510 3.340 20 30 DGEDHO CCCC[C@@H]1C[C@H](NCCCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246327920 1104493294 /nfs/dbraw/zinc/49/32/94/1104493294.db2.gz KFZFXVSOVILAPJ-QZTJIDSGSA-N 1 3 315.461 3.228 20 30 DGEDHO CC(C)(C)[C@H]1C[C@H](NCCCOc2ccccc2C#N)CC[NH2+]1 ZINC001246329538 1104493461 /nfs/dbraw/zinc/49/34/61/1104493461.db2.gz QKLNIKMGZVQVIE-SJLPKXTDSA-N 1 3 315.461 3.083 20 30 DGEDHO CCCCCCC[C@@H](CC)N1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246650160 1104647268 /nfs/dbraw/zinc/64/72/68/1104647268.db2.gz HKCDMAOGIFTKFX-IEBWSBKVSA-N 1 3 323.525 3.070 20 30 DGEDHO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001254673743 1106131102 /nfs/dbraw/zinc/13/11/02/1106131102.db2.gz OFHICNDNPFVDSC-WTGUMLROSA-N 1 3 309.457 3.133 20 30 DGEDHO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001254673743 1106131105 /nfs/dbraw/zinc/13/11/05/1106131105.db2.gz OFHICNDNPFVDSC-WTGUMLROSA-N 1 3 309.457 3.133 20 30 DGEDHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000181524670 199311278 /nfs/dbraw/zinc/31/12/78/199311278.db2.gz DHVDIAOIUUYEFW-INIZCTEOSA-N 1 3 323.440 3.349 20 30 DGEDHO N#C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3cccs3)CC2)C1 ZINC000442798330 239127911 /nfs/dbraw/zinc/12/79/11/239127911.db2.gz WKIIKSBVLYINEG-CVEARBPZSA-N 1 3 303.475 3.242 20 30 DGEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCN(CC3CC3)C1)CC2 ZINC000596097494 400317852 /nfs/dbraw/zinc/31/78/52/400317852.db2.gz YCAOIVITJQTIEY-YLJYHZDGSA-N 1 3 309.457 3.257 20 30 DGEDHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)C(C)C#N ZINC000598153647 400753085 /nfs/dbraw/zinc/75/30/85/400753085.db2.gz OBYISRZYCCEZIR-CQSZACIVSA-N 1 3 321.852 3.170 20 30 DGEDHO C[N@@H+]1CC[C@H](NCCSCc2ccccc2C#N)CC1(C)C ZINC000598953552 400911379 /nfs/dbraw/zinc/91/13/79/400911379.db2.gz YHPDKCGSCJDNRQ-KRWDZBQOSA-N 1 3 317.502 3.254 20 30 DGEDHO C[N@H+]1CC[C@H](NCCSCc2ccccc2C#N)CC1(C)C ZINC000598953552 400911384 /nfs/dbraw/zinc/91/13/84/400911384.db2.gz YHPDKCGSCJDNRQ-KRWDZBQOSA-N 1 3 317.502 3.254 20 30 DGEDHO Cn1cc(CNCc2ccc(C[NH+]3CCCCC3)cc2)cc1C#N ZINC000190707147 432184149 /nfs/dbraw/zinc/18/41/49/432184149.db2.gz ACDUPCXKWJATBY-UHFFFAOYSA-N 1 3 322.456 3.172 20 30 DGEDHO C[C@@H]1CN(CC2CC[NH+](CCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000174842061 228294259 /nfs/dbraw/zinc/29/42/59/228294259.db2.gz GSEJISSLTZUCQY-CALCHBBNSA-N 1 3 321.509 3.138 20 30 DGEDHO N#CCc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000342724111 229117421 /nfs/dbraw/zinc/11/74/21/229117421.db2.gz DIIXINRUXDWBKS-UYAOXDASSA-N 1 3 309.457 3.201 20 30 DGEDHO N#CCc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000342724111 229117424 /nfs/dbraw/zinc/11/74/24/229117424.db2.gz DIIXINRUXDWBKS-UYAOXDASSA-N 1 3 309.457 3.201 20 30 DGEDHO N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360838655 268219302 /nfs/dbraw/zinc/21/93/02/268219302.db2.gz VCAGZTGTUCAQGU-OXJNMPFZSA-N 1 3 309.457 3.400 20 30 DGEDHO N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000360838655 268219304 /nfs/dbraw/zinc/21/93/04/268219304.db2.gz VCAGZTGTUCAQGU-OXJNMPFZSA-N 1 3 309.457 3.400 20 30 DGEDHO C[N@H+](CCCCC#N)CCC1CCN(c2ccncc2)CC1 ZINC000092820895 431912077 /nfs/dbraw/zinc/91/20/77/431912077.db2.gz UBGRRLZYQIECEJ-UHFFFAOYSA-N 1 3 300.450 3.314 20 30 DGEDHO C[N@@H+](CCCCC#N)CCC1CCN(c2ccncc2)CC1 ZINC000092820895 431912079 /nfs/dbraw/zinc/91/20/79/431912079.db2.gz UBGRRLZYQIECEJ-UHFFFAOYSA-N 1 3 300.450 3.314 20 30 DGEDHO C=C(C)COCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248412914 432286562 /nfs/dbraw/zinc/28/65/62/432286562.db2.gz KHLYYCYRZUPELZ-VAMGGRTRSA-N 1 3 314.473 3.079 20 30 DGEDHO C=C(C)COCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248412914 432286566 /nfs/dbraw/zinc/28/65/66/432286566.db2.gz KHLYYCYRZUPELZ-VAMGGRTRSA-N 1 3 314.473 3.079 20 30 DGEDHO C=C(C)COCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248412914 432286569 /nfs/dbraw/zinc/28/65/69/432286569.db2.gz KHLYYCYRZUPELZ-VAMGGRTRSA-N 1 3 314.473 3.079 20 30 DGEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000175008085 432389265 /nfs/dbraw/zinc/38/92/65/432389265.db2.gz RPDLHZGHYOXOFT-ZWKOTPCHSA-N 1 3 315.461 3.332 20 30 DGEDHO C=CCSCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000271483584 432405423 /nfs/dbraw/zinc/40/54/23/432405423.db2.gz NVNVHYCGMDCLAY-HNNXBMFYSA-N 1 3 308.491 3.197 20 30 DGEDHO CC(C)CC[NH+]1CCC(CNCc2ccc(C#N)s2)CC1 ZINC000175990793 432483539 /nfs/dbraw/zinc/48/35/39/432483539.db2.gz CPJJMOZVDCTPFP-UHFFFAOYSA-N 1 3 305.491 3.467 20 30 DGEDHO C=CCCCCCN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000193323671 432465603 /nfs/dbraw/zinc/46/56/03/432465603.db2.gz KJWYRJROJXBOLN-OALUTQOASA-N 1 3 307.526 3.223 20 30 DGEDHO C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000178254870 432712403 /nfs/dbraw/zinc/71/24/03/432712403.db2.gz QNRKWIOVMMTWAB-MRXNPFEDSA-N 1 3 312.457 3.224 20 30 DGEDHO COc1cc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000281804681 433388656 /nfs/dbraw/zinc/38/86/56/433388656.db2.gz VNSOWNFXQBYRCM-MRXNPFEDSA-N 1 3 315.461 3.169 20 30 DGEDHO COc1cc(CNCCCC[N@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000281804681 433388666 /nfs/dbraw/zinc/38/86/66/433388666.db2.gz VNSOWNFXQBYRCM-MRXNPFEDSA-N 1 3 315.461 3.169 20 30 DGEDHO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000424321628 434695708 /nfs/dbraw/zinc/69/57/08/434695708.db2.gz HIFBTVAIJWBIBD-LCWAXJCOSA-N 1 3 309.457 3.179 20 30 DGEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000424321628 434695719 /nfs/dbraw/zinc/69/57/19/434695719.db2.gz HIFBTVAIJWBIBD-LCWAXJCOSA-N 1 3 309.457 3.179 20 30 DGEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000424321628 434695726 /nfs/dbraw/zinc/69/57/26/434695726.db2.gz HIFBTVAIJWBIBD-LCWAXJCOSA-N 1 3 309.457 3.179 20 30 DGEDHO C=C[C@@H]1OCC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411792213 434830871 /nfs/dbraw/zinc/83/08/71/434830871.db2.gz QUENUOGQWFMGGT-MOPGFXCFSA-N 1 3 300.446 3.106 20 30 DGEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000661114994 435969964 /nfs/dbraw/zinc/96/99/64/435969964.db2.gz NYXHCXXQFMSXJQ-RTBURBONSA-N 1 3 307.526 3.127 20 30 DGEDHO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000174346544 526998853 /nfs/dbraw/zinc/99/88/53/526998853.db2.gz XZSXLAVYVOJGNF-IBGZPJMESA-N 1 3 313.489 3.471 20 30 DGEDHO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([O-])c1 ZINC000741465100 574549687 /nfs/dbraw/zinc/54/96/87/574549687.db2.gz SXVISEFNMOXEKG-RRNXIHKHSA-N 1 3 303.450 3.140 20 30 DGEDHO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([O-])c1 ZINC000741465100 574549689 /nfs/dbraw/zinc/54/96/89/574549689.db2.gz SXVISEFNMOXEKG-RRNXIHKHSA-N 1 3 303.450 3.140 20 30 DGEDHO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000924937572 618744534 /nfs/dbraw/zinc/74/45/34/618744534.db2.gz DOWLVXDIPLOFHD-IEBWSBKVSA-N 1 3 313.489 3.469 20 30 DGEDHO C[C@H](NC1CCC(C)([NH+]2CCCC2)CC1)c1cc(C#N)ccn1 ZINC000903253709 619745325 /nfs/dbraw/zinc/74/53/25/619745325.db2.gz ORQIXGJTRANHNP-DMKPSLHHSA-N 1 3 312.461 3.401 20 30 DGEDHO C#CC[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000756995293 621677939 /nfs/dbraw/zinc/67/79/39/621677939.db2.gz FWVSNLYKTDIZEA-NRFANRHFSA-N 1 3 322.452 3.481 20 30 DGEDHO C#CCOc1ccccc1CN1CCC(C[NH+](CC)CC)CC1 ZINC000768301976 622449410 /nfs/dbraw/zinc/44/94/10/622449410.db2.gz FUXSFKFGRGIZOM-UHFFFAOYSA-N 1 3 314.473 3.252 20 30 DGEDHO N#Cc1ccc(CN2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000872155986 622837345 /nfs/dbraw/zinc/83/73/45/622837345.db2.gz BXDBSGAMXKHWMM-RDTXWAMCSA-N 1 3 301.434 3.271 20 30 DGEDHO C=CCC[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccco1 ZINC000873294119 623106334 /nfs/dbraw/zinc/10/63/34/623106334.db2.gz SUHBIXVUQDOIGQ-JKSUJKDBSA-N 1 3 304.434 3.035 20 30 DGEDHO CSc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1C#N ZINC000886689864 627191129 /nfs/dbraw/zinc/19/11/29/627191129.db2.gz JFIFDMLMIOAKFH-BBWFWOEESA-N 1 3 315.486 3.243 20 30 DGEDHO CSc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1C#N ZINC000886689864 627191131 /nfs/dbraw/zinc/19/11/31/627191131.db2.gz JFIFDMLMIOAKFH-BBWFWOEESA-N 1 3 315.486 3.243 20 30 DGEDHO C=C(C)C[NH+]1CCC(NC[C@H](O)c2cccc(Cl)c2)CC1 ZINC000819024341 628079589 /nfs/dbraw/zinc/07/95/89/628079589.db2.gz OCKOSTCWRVWBKN-KRWDZBQOSA-N 1 3 308.853 3.004 20 30 DGEDHO C=C(C)C[NH+]1CCC(NC/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835038763 629831402 /nfs/dbraw/zinc/83/14/02/629831402.db2.gz ZQFBQRFFHMFSDL-WAYWQWQTSA-N 1 3 313.489 3.396 20 30 DGEDHO CCC(CC)[C@@H](C[NH+]=C(NCc1ccccc1)N(C)C)N(C)C ZINC000849055692 631821166 /nfs/dbraw/zinc/82/11/66/631821166.db2.gz YWKLHYHISIBXCA-GOSISDBHSA-N 1 3 318.509 3.060 20 30 DGEDHO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CCCN2CC)cc1 ZINC000303712042 657557422 /nfs/dbraw/zinc/55/74/22/657557422.db2.gz PRKNFZDCIIDURU-PBHICJAKSA-N 1 3 302.466 3.411 20 30 DGEDHO CC[C@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)N1CCCC1 ZINC000304708740 657644457 /nfs/dbraw/zinc/64/44/57/657644457.db2.gz XTBNRLLHWMKSMT-MRXNPFEDSA-N 1 3 314.477 3.166 20 30 DGEDHO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000246877028 662288354 /nfs/dbraw/zinc/28/83/54/662288354.db2.gz DEXGOOWMOSWOIJ-CGTJXYLNSA-N 1 3 300.446 3.222 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NC[C@]2(N(C)C)CCC[C@H](C)C2)cc1 ZINC000303865684 1199601688 /nfs/dbraw/zinc/60/16/88/1199601688.db2.gz BSUYAICMKSCMSL-YJBOKZPZSA-N 1 3 302.466 3.232 20 30 DGEDHO C=CCCCCCCCN1CCN(CC[NH+](CC)CC)CC1 ZINC001209438317 1081752589 /nfs/dbraw/zinc/75/25/89/1081752589.db2.gz JPCSCRGEQYZKCL-UHFFFAOYSA-N 1 3 309.542 3.472 20 30 DGEDHO C=CCC[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001483338560 1087475541 /nfs/dbraw/zinc/47/55/41/1087475541.db2.gz GGCIQADBEDPRIX-SJORKVTESA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001483338560 1087475542 /nfs/dbraw/zinc/47/55/42/1087475542.db2.gz GGCIQADBEDPRIX-SJORKVTESA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1CCCC ZINC001156306396 1089472564 /nfs/dbraw/zinc/47/25/64/1089472564.db2.gz QPSOTYVOFOQGTO-QZTJIDSGSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1CCCC ZINC001156306396 1089472573 /nfs/dbraw/zinc/47/25/73/1089472573.db2.gz QPSOTYVOFOQGTO-QZTJIDSGSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1CCCC ZINC001156306666 1089472747 /nfs/dbraw/zinc/47/27/47/1089472747.db2.gz URMBBZKEBJDVGY-MSOLQXFVSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1CCCC ZINC001156306666 1089472753 /nfs/dbraw/zinc/47/27/53/1089472753.db2.gz URMBBZKEBJDVGY-MSOLQXFVSA-N 1 3 323.525 3.044 20 30 DGEDHO CN1C[C@@H]2C[N@@H+](Cc3ccc(C#Cc4ccccc4)cc3)C[C@@H]2C1 ZINC001138335880 1091145054 /nfs/dbraw/zinc/14/50/54/1091145054.db2.gz FDRNLRXCKLITQN-SZPZYZBQSA-N 1 3 316.448 3.080 20 30 DGEDHO CN1C[C@@H]2C[N@H+](Cc3ccc(C#Cc4ccccc4)cc3)C[C@@H]2C1 ZINC001138335880 1091145058 /nfs/dbraw/zinc/14/50/58/1091145058.db2.gz FDRNLRXCKLITQN-SZPZYZBQSA-N 1 3 316.448 3.080 20 30 DGEDHO Cn1cc(CN2CCCC[C@](C)(C[NH3+])C2)c2cc(C#N)ccc21 ZINC001206573499 1091673389 /nfs/dbraw/zinc/67/33/89/1091673389.db2.gz MCEHDMAQTUEPLQ-LJQANCHMSA-N 1 3 310.445 3.001 20 30 DGEDHO C=CCCCCC[C@H](N)C(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001218898286 1094900371 /nfs/dbraw/zinc/90/03/71/1094900371.db2.gz MLVPCWKYJRSPLF-KRWDZBQOSA-N 1 3 317.477 3.325 20 30 DGEDHO C=CCCCCC[C@H](N)C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218972870 1094918392 /nfs/dbraw/zinc/91/83/92/1094918392.db2.gz UVKNIEHIJAABTD-KRWDZBQOSA-N 1 3 315.461 3.427 20 30 DGEDHO N[C@@H]1CC[N@H+](Cc2ccccc2C#Cc2ccccc2)CC[C@H]1F ZINC001206182664 1097288156 /nfs/dbraw/zinc/28/81/56/1097288156.db2.gz CVRVMZZKXISEKV-NHCUHLMSSA-N 1 3 322.427 3.348 20 30 DGEDHO N[C@@H]1CC[N@@H+](Cc2ccccc2C#Cc2ccccc2)CC[C@H]1F ZINC001206182664 1097288157 /nfs/dbraw/zinc/28/81/57/1097288157.db2.gz CVRVMZZKXISEKV-NHCUHLMSSA-N 1 3 322.427 3.348 20 30 DGEDHO N#Cc1cccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235428681 1099023979 /nfs/dbraw/zinc/02/39/79/1099023979.db2.gz OSQHZPJNCGFFGG-HZPDHXFCSA-N 1 3 317.864 3.423 20 30 DGEDHO C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580454 1099150634 /nfs/dbraw/zinc/15/06/34/1099150634.db2.gz HHNRBQRQPGQFAY-QZTJIDSGSA-N 1 3 323.525 3.092 20 30 DGEDHO N#Cc1ccc(CC2CCN(CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235787995 1099179124 /nfs/dbraw/zinc/17/91/24/1099179124.db2.gz AYSRJOLHNHITCA-FQEVSTJZSA-N 1 3 311.473 3.345 20 30 DGEDHO C=CCN(Cc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235963099 1099293757 /nfs/dbraw/zinc/29/37/57/1099293757.db2.gz UIENMUYTORKAIZ-UHFFFAOYSA-N 1 3 321.468 3.284 20 30 DGEDHO C=CCCCCCC[C@H](O)CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246026880 1104353637 /nfs/dbraw/zinc/35/36/37/1104353637.db2.gz VPDUFNWMRGEKAS-OALUTQOASA-N 1 3 308.510 3.340 20 30 DGEDHO C=CCCCCCC[C@H](O)C[N@@H+]1CCCCC12CCNCC2 ZINC001246027707 1104354767 /nfs/dbraw/zinc/35/47/67/1104354767.db2.gz BHJDVYUUMDPCIC-SFHVURJKSA-N 1 3 308.510 3.482 20 30 DGEDHO C=CCCCCCC[C@H](O)C[N@H+]1CCCCC12CCNCC2 ZINC001246027707 1104354782 /nfs/dbraw/zinc/35/47/82/1104354782.db2.gz BHJDVYUUMDPCIC-SFHVURJKSA-N 1 3 308.510 3.482 20 30 DGEDHO C#Cc1cccc(C[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246260877 1104463802 /nfs/dbraw/zinc/46/38/02/1104463802.db2.gz BVIUHBCTHJVDJH-LEWJYISDSA-N 1 3 304.437 3.121 20 30 DGEDHO CCCCCCC[C@H](CC(C)C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246420089 1104534700 /nfs/dbraw/zinc/53/47/00/1104534700.db2.gz WODUOGAJLNTWFN-SJORKVTESA-N 1 3 313.530 3.334 20 30 DGEDHO C#CCCC[NH+]1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001275975872 1104975616 /nfs/dbraw/zinc/97/56/16/1104975616.db2.gz QGTAQGYTQZJZRR-UHFFFAOYSA-N 1 3 302.384 3.140 20 30 DGEDHO C=C[C@](C)(O)C[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001252577984 1105796593 /nfs/dbraw/zinc/79/65/93/1105796593.db2.gz AGVDJUIYTAMLRI-SFHVURJKSA-N 1 3 322.880 3.079 20 30 DGEDHO N#C[C@H]1CC[C@@H]([NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)C1 ZINC001254665582 1106127850 /nfs/dbraw/zinc/12/78/50/1106127850.db2.gz OKJTXJFUMGCWHD-PKOBYXMFSA-N 1 3 324.472 3.062 20 30 DGEDHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000181524550 199310861 /nfs/dbraw/zinc/31/08/61/199310861.db2.gz VRUIXZQGKUDFPE-INIZCTEOSA-N 1 3 323.440 3.349 20 30 DGEDHO C[C@@H]1C[C@H](CCNC[C@H](C#N)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000578965931 400333831 /nfs/dbraw/zinc/33/38/31/400333831.db2.gz UADMMIZAOUGEKO-HOJAQTOUSA-N 1 3 324.472 3.320 20 30 DGEDHO C[C@@H]1C[C@H](CCNC[C@H](C#N)CCC#N)C[N@H+]1Cc1ccccc1 ZINC000578965931 400333834 /nfs/dbraw/zinc/33/38/34/400333834.db2.gz UADMMIZAOUGEKO-HOJAQTOUSA-N 1 3 324.472 3.320 20 30 DGEDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602575610 400501732 /nfs/dbraw/zinc/50/17/32/400501732.db2.gz SBUYLFQACSDPKF-ZWKOTPCHSA-N 1 3 321.509 3.043 20 30 DGEDHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602575610 400501733 /nfs/dbraw/zinc/50/17/33/400501733.db2.gz SBUYLFQACSDPKF-ZWKOTPCHSA-N 1 3 321.509 3.043 20 30 DGEDHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602575610 400501734 /nfs/dbraw/zinc/50/17/34/400501734.db2.gz SBUYLFQACSDPKF-ZWKOTPCHSA-N 1 3 321.509 3.043 20 30 DGEDHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CC1(CC#N)CC1 ZINC000602795759 400575842 /nfs/dbraw/zinc/57/58/42/400575842.db2.gz CORRVRYCZSKZCS-UHFFFAOYSA-N 1 3 312.461 3.314 20 30 DGEDHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CC1(CC#N)CC1 ZINC000602795759 400575845 /nfs/dbraw/zinc/57/58/45/400575845.db2.gz CORRVRYCZSKZCS-UHFFFAOYSA-N 1 3 312.461 3.314 20 30 DGEDHO C[NH+]1CCC2(CCN(Cc3ccc(C#N)cc3Cl)C2)CC1 ZINC000602878042 400597439 /nfs/dbraw/zinc/59/74/39/400597439.db2.gz OZMIWOFWFUOUNX-UHFFFAOYSA-N 1 3 303.837 3.129 20 30 DGEDHO CN1CCC[C@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CC[C@H]21 ZINC000246856021 432174620 /nfs/dbraw/zinc/17/46/20/432174620.db2.gz KXPORJKEZMZHQY-PKOBYXMFSA-N 1 3 311.473 3.404 20 30 DGEDHO CN1CCC[C@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CC[C@H]21 ZINC000246856021 432174621 /nfs/dbraw/zinc/17/46/21/432174621.db2.gz KXPORJKEZMZHQY-PKOBYXMFSA-N 1 3 311.473 3.404 20 30 DGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360838654 270004614 /nfs/dbraw/zinc/00/46/14/270004614.db2.gz VCAGZTGTUCAQGU-JXFKEZNVSA-N 1 3 309.457 3.400 20 30 DGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000360838654 270004615 /nfs/dbraw/zinc/00/46/15/270004615.db2.gz VCAGZTGTUCAQGU-JXFKEZNVSA-N 1 3 309.457 3.400 20 30 DGEDHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2cccc(C#N)c2)C[C@H]1C ZINC000357273753 266152669 /nfs/dbraw/zinc/15/26/69/266152669.db2.gz PCQDLUIAUZBMQP-SJLPKXTDSA-N 1 3 315.461 3.132 20 30 DGEDHO CC[N@H+]1CC[C@@H](N(C)CCCOc2cccc(C#N)c2)C[C@H]1C ZINC000357273753 266152671 /nfs/dbraw/zinc/15/26/71/266152671.db2.gz PCQDLUIAUZBMQP-SJLPKXTDSA-N 1 3 315.461 3.132 20 30 DGEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000152999735 432375333 /nfs/dbraw/zinc/37/53/33/432375333.db2.gz JMKYXHYIPNWVRV-HNNXBMFYSA-N 1 3 316.445 3.149 20 30 DGEDHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)c1ccc(OCC#N)cc1 ZINC000276899781 432826581 /nfs/dbraw/zinc/82/65/81/432826581.db2.gz NCKVNAZQVQTULB-MRXNPFEDSA-N 1 3 315.461 3.362 20 30 DGEDHO CC(C)CCNC(=[NH2+])NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000304809938 434016681 /nfs/dbraw/zinc/01/66/81/434016681.db2.gz VZTMGQOKXPTGEO-HOCLYGCPSA-N 1 3 322.522 3.081 20 30 DGEDHO CC(C)(C#N)CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310028011 434109284 /nfs/dbraw/zinc/10/92/84/434109284.db2.gz WIDCBUKULXYQSG-MOPGFXCFSA-N 1 3 311.473 3.380 20 30 DGEDHO CC(C)(C#N)CCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310028011 434109295 /nfs/dbraw/zinc/10/92/95/434109295.db2.gz WIDCBUKULXYQSG-MOPGFXCFSA-N 1 3 311.473 3.380 20 30 DGEDHO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000661114993 435970259 /nfs/dbraw/zinc/97/02/59/435970259.db2.gz NYXHCXXQFMSXJQ-RBUKOAKNSA-N 1 3 307.526 3.127 20 30 DGEDHO C=CCCC[N@@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000353696655 527193160 /nfs/dbraw/zinc/19/31/60/527193160.db2.gz AHJOZFZUWTWNES-UHFFFAOYSA-N 1 3 301.478 3.227 20 30 DGEDHO C=CCCC[N@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000353696655 527193162 /nfs/dbraw/zinc/19/31/62/527193162.db2.gz AHJOZFZUWTWNES-UHFFFAOYSA-N 1 3 301.478 3.227 20 30 DGEDHO C=CCc1cc(C[N@@H+](CCC)C2CCNCC2)cc(OC)c1O ZINC000347010048 527236132 /nfs/dbraw/zinc/23/61/32/527236132.db2.gz FQNKTVUQPKYQNB-UHFFFAOYSA-N 1 3 318.461 3.093 20 30 DGEDHO C=CCc1cc(C[N@H+](CCC)C2CCNCC2)cc(OC)c1O ZINC000347010048 527236135 /nfs/dbraw/zinc/23/61/35/527236135.db2.gz FQNKTVUQPKYQNB-UHFFFAOYSA-N 1 3 318.461 3.093 20 30 DGEDHO C=CCC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CC1 ZINC000182267278 527450298 /nfs/dbraw/zinc/45/02/98/527450298.db2.gz RMQPABDFCNTDRO-VQTJNVASSA-N 1 3 314.473 3.088 20 30 DGEDHO CC[NH+](CC)CCO[C@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000442680065 528148811 /nfs/dbraw/zinc/14/88/11/528148811.db2.gz NHXNRVMJMIXXJF-LPHOPBHVSA-N 1 3 315.461 3.052 20 30 DGEDHO C=CC[NH+]1CCC(NCc2ccccc2N2CCCCC2)CC1 ZINC000892881056 618338827 /nfs/dbraw/zinc/33/88/27/618338827.db2.gz PGBRIXAMAOUKRV-UHFFFAOYSA-N 1 3 313.489 3.417 20 30 DGEDHO C#C[C@H](NCC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000894669464 618417332 /nfs/dbraw/zinc/41/73/32/618417332.db2.gz SRXXSWABRMSLEG-INIZCTEOSA-N 1 3 321.262 3.055 20 30 DGEDHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902746978 619669445 /nfs/dbraw/zinc/66/94/45/619669445.db2.gz BRAIAOCPGNQLBY-JKSUJKDBSA-N 1 3 300.450 3.258 20 30 DGEDHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902746978 619669447 /nfs/dbraw/zinc/66/94/47/619669447.db2.gz BRAIAOCPGNQLBY-JKSUJKDBSA-N 1 3 300.450 3.258 20 30 DGEDHO C[C@@H](NC1CCC([NH+]2CCCCC2)CC1)c1cc(C#N)ccn1 ZINC000902836138 619682213 /nfs/dbraw/zinc/68/22/13/619682213.db2.gz SVGHHWLJUIAVFY-FAEJEUNOSA-N 1 3 312.461 3.401 20 30 DGEDHO CC[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902973110 619701567 /nfs/dbraw/zinc/70/15/67/619701567.db2.gz OFSJDPCVXFGOTO-LPHOPBHVSA-N 1 3 315.461 3.100 20 30 DGEDHO CC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902973110 619701569 /nfs/dbraw/zinc/70/15/69/619701569.db2.gz OFSJDPCVXFGOTO-LPHOPBHVSA-N 1 3 315.461 3.100 20 30 DGEDHO C#CCCOc1ccc(C[NH2+]C2CCN(CCCC)CC2)cc1 ZINC000113330196 620904205 /nfs/dbraw/zinc/90/42/05/620904205.db2.gz BVEWENNYIDCXFO-UHFFFAOYSA-N 1 3 314.473 3.443 20 30 DGEDHO C=C(C)CC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603774 621007089 /nfs/dbraw/zinc/00/70/89/621007089.db2.gz OBTOTJPUAXHXMP-LJQANCHMSA-N 1 3 317.477 3.341 20 30 DGEDHO C=C(C)CC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603774 621007093 /nfs/dbraw/zinc/00/70/93/621007093.db2.gz OBTOTJPUAXHXMP-LJQANCHMSA-N 1 3 317.477 3.341 20 30 DGEDHO C[C@@H](NCc1ccc(C#N)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000765015896 622240225 /nfs/dbraw/zinc/24/02/25/622240225.db2.gz RMOCUWDFARVNPL-MRXNPFEDSA-N 1 3 323.440 3.349 20 30 DGEDHO C=CCC[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@H]1CCCO1 ZINC000883237962 626619466 /nfs/dbraw/zinc/61/94/66/626619466.db2.gz OMCXEYPBKMUFSH-GBESFXJTSA-N 1 3 306.494 3.212 20 30 DGEDHO CC(C)Oc1ccc(NC(=[NH2+])NCCN(C(C)C)C(C)C)cc1 ZINC000104153843 627410881 /nfs/dbraw/zinc/41/08/81/627410881.db2.gz PDBGEHAQMFBGDC-UHFFFAOYSA-N 1 3 320.481 3.319 20 30 DGEDHO C[C@H](CC(C)(C)C#N)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000926694191 627933946 /nfs/dbraw/zinc/93/39/46/627933946.db2.gz QZURJXBPZKYEGS-MRXNPFEDSA-N 1 3 314.477 3.212 20 30 DGEDHO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)N1CCC[C@@H](C)C1 ZINC000303910699 657578647 /nfs/dbraw/zinc/57/86/47/657578647.db2.gz ZCXHZDRIUFYYSM-HUUCEWRRSA-N 1 3 314.477 3.022 20 30 DGEDHO [NH2+]=C(NCCN1CCCCCC1)Nc1cccc2c1CCCC2 ZINC000304667707 657642826 /nfs/dbraw/zinc/64/28/26/657642826.db2.gz LEIQHSQLMALZHY-UHFFFAOYSA-N 1 3 314.477 3.168 20 30 DGEDHO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000247142029 662302066 /nfs/dbraw/zinc/30/20/66/662302066.db2.gz WEWPSDWOXLNYTA-MSOLQXFVSA-N 1 3 314.473 3.470 20 30 DGEDHO N#Cc1ccc(CN2CCC3(CCC[C@H]3C[NH3+])CC2)c(F)c1 ZINC001580066685 1192005822 /nfs/dbraw/zinc/00/58/22/1192005822.db2.gz PSUVWCNBFWJXLN-INIZCTEOSA-N 1 3 301.409 3.038 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NC[C@@]2(N(C)C)CCC[C@H](C)C2)cc1 ZINC000303865682 1199601353 /nfs/dbraw/zinc/60/13/53/1199601353.db2.gz BSUYAICMKSCMSL-MAUKXSAKSA-N 1 3 302.466 3.232 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NC[C@]2(N(C)C)CCC[C@@H](C)C2)cc1 ZINC000303865683 1199601585 /nfs/dbraw/zinc/60/15/85/1199601585.db2.gz BSUYAICMKSCMSL-QAPCUYQASA-N 1 3 302.466 3.232 20 30 DGEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)CN(C)CCC)C1 ZINC001692132149 1200941540 /nfs/dbraw/zinc/94/15/40/1200941540.db2.gz QTKLBYPVZRPMBQ-MSOLQXFVSA-N 1 3 323.525 3.044 20 30 DGEDHO CCCCCCC[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001700289495 1202227748 /nfs/dbraw/zinc/22/77/48/1202227748.db2.gz NYLUBYZBRICVQU-UHFFFAOYSA-N 1 3 323.525 3.023 20 30 DGEDHO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)N(CC)CC ZINC001725242219 1204125923 /nfs/dbraw/zinc/12/59/23/1204125923.db2.gz NQQINKVHLNRADE-ZWKOTPCHSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)N(CC)CC ZINC001725242219 1204125922 /nfs/dbraw/zinc/12/59/22/1204125922.db2.gz NQQINKVHLNRADE-ZWKOTPCHSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCCCCC[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158079559 1090181693 /nfs/dbraw/zinc/18/16/93/1090181693.db2.gz HCJYNDLYBZCQEM-UHFFFAOYSA-N 1 3 323.525 3.093 20 30 DGEDHO CC(=NCc1cccc(C[NH3+])c1)Nc1nc(C)cc2[nH]ccc21 ZINC001163472273 1090194392 /nfs/dbraw/zinc/19/43/92/1090194392.db2.gz XUSZDBWIFKWBAH-UHFFFAOYSA-N 1 3 307.401 3.361 20 30 DGEDHO CN(C)/C=N/c1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1C#N ZINC001168600786 1090599380 /nfs/dbraw/zinc/59/93/80/1090599380.db2.gz CXFUEQNCRNHRQI-XYLSPAALSA-N 1 3 313.449 3.064 20 30 DGEDHO CC(C)[NH+]1CCC(CN(C)Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140754408 1091988017 /nfs/dbraw/zinc/98/80/17/1091988017.db2.gz YNBRGXOUGVEPLF-UHFFFAOYSA-N 1 3 321.415 3.389 20 30 DGEDHO CCN(CC)[C@@H](CNC(=[NH2+])Nc1ccc(C)cc1)CC(C)C ZINC000303785442 1093848432 /nfs/dbraw/zinc/84/84/32/1093848432.db2.gz QJVOZSRAQXWHKD-QGZVFWFLSA-N 1 3 304.482 3.478 20 30 DGEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001337087227 1094848544 /nfs/dbraw/zinc/84/85/44/1094848544.db2.gz PYXZECARFKPTLG-MRXNPFEDSA-N 1 3 321.852 3.081 20 30 DGEDHO CCCCCCCC[C@@H](N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001340106897 1095864241 /nfs/dbraw/zinc/86/42/41/1095864241.db2.gz WOVMFPBWTBPXAS-QZTJIDSGSA-N 1 3 323.525 3.009 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001340107508 1095864438 /nfs/dbraw/zinc/86/44/38/1095864438.db2.gz YRPQZGLNMXHJLR-ZACQAIPSSA-N 1 3 311.514 3.005 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001340107508 1095864454 /nfs/dbraw/zinc/86/44/54/1095864454.db2.gz YRPQZGLNMXHJLR-ZACQAIPSSA-N 1 3 311.514 3.005 20 30 DGEDHO C=CCCCCC[NH+]1CCC(NC(=O)C(C)(C)N(C)CC)CC1 ZINC001228064945 1097043219 /nfs/dbraw/zinc/04/32/19/1097043219.db2.gz LAMINDSAJVPLAR-UHFFFAOYSA-N 1 3 323.525 3.044 20 30 DGEDHO N[C@@H]1CC[N@H+](Cc2ccccc2C#Cc2ccccc2)CC[C@@H]1F ZINC001206182663 1097288061 /nfs/dbraw/zinc/28/80/61/1097288061.db2.gz CVRVMZZKXISEKV-LEWJYISDSA-N 1 3 322.427 3.348 20 30 DGEDHO N[C@@H]1CC[N@@H+](Cc2ccccc2C#Cc2ccccc2)CC[C@@H]1F ZINC001206182663 1097288063 /nfs/dbraw/zinc/28/80/63/1097288063.db2.gz CVRVMZZKXISEKV-LEWJYISDSA-N 1 3 322.427 3.348 20 30 DGEDHO CN1C[C@@H]2C[N@@H+](Cc3ccccc3C#Cc3ccccc3)C[C@@H]2C1 ZINC001231577753 1097783033 /nfs/dbraw/zinc/78/30/33/1097783033.db2.gz AXNNEBXRBXSRCL-SZPZYZBQSA-N 1 3 316.448 3.080 20 30 DGEDHO CN1C[C@@H]2C[N@H+](Cc3ccccc3C#Cc3ccccc3)C[C@@H]2C1 ZINC001231577753 1097783037 /nfs/dbraw/zinc/78/30/37/1097783037.db2.gz AXNNEBXRBXSRCL-SZPZYZBQSA-N 1 3 316.448 3.080 20 30 DGEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001175574558 1098101682 /nfs/dbraw/zinc/10/16/82/1098101682.db2.gz XZYAQNWEAIIMKO-ROUUACIJSA-N 1 3 323.525 3.090 20 30 DGEDHO N#Cc1ccc(Cl)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235426755 1099018238 /nfs/dbraw/zinc/01/82/38/1099018238.db2.gz LDAWFQXWTDCDOJ-JKSUJKDBSA-N 1 3 317.864 3.423 20 30 DGEDHO C=C(C)[C@@H]1CC=C(C[N@@H+](CCCOC)C2CCNCC2)CC1 ZINC001235936892 1099272730 /nfs/dbraw/zinc/27/27/30/1099272730.db2.gz GXNWUWXMFHTJGG-GOSISDBHSA-N 1 3 306.494 3.380 20 30 DGEDHO C=C(C)[C@@H]1CC=C(C[N@H+](CCCOC)C2CCNCC2)CC1 ZINC001235936892 1099272737 /nfs/dbraw/zinc/27/27/37/1099272737.db2.gz GXNWUWXMFHTJGG-GOSISDBHSA-N 1 3 306.494 3.380 20 30 DGEDHO C=C(C)[C@@H]1CC=C(CN(CCCOC)C2CC[NH2+]CC2)CC1 ZINC001235936892 1099272747 /nfs/dbraw/zinc/27/27/47/1099272747.db2.gz GXNWUWXMFHTJGG-GOSISDBHSA-N 1 3 306.494 3.380 20 30 DGEDHO C=CCOc1cccc(CN(C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236638310 1099717758 /nfs/dbraw/zinc/71/77/58/1099717758.db2.gz YWVORCFBEBEOBA-UHFFFAOYSA-N 1 3 300.446 3.358 20 30 DGEDHO C=CCCCCCC[C@H](O)CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001246071257 1104363784 /nfs/dbraw/zinc/36/37/84/1104363784.db2.gz RGFUNPJYDFSFLV-MJGOQNOKSA-N 1 3 308.510 3.338 20 30 DGEDHO C[C@H]1CC[C@H](CNC2CCC(C#N)(c3ccccc3)CC2)[NH2+]C1 ZINC001246104090 1104388647 /nfs/dbraw/zinc/38/86/47/1104388647.db2.gz JETJEPCXTFBBDH-OXHPOLQJSA-N 1 3 311.473 3.368 20 30 DGEDHO CCCCCCC[C@H](C)[NH2+]C1(CC(=O)OCC)CCNCC1 ZINC001246326101 1104491518 /nfs/dbraw/zinc/49/15/18/1104491518.db2.gz NGOYEKHPPQCLIH-INIZCTEOSA-N 1 3 312.498 3.400 20 30 DGEDHO CCCCCCC[C@H](C)NC1(CC(=O)OCC)CC[NH2+]CC1 ZINC001246326101 1104491520 /nfs/dbraw/zinc/49/15/20/1104491520.db2.gz NGOYEKHPPQCLIH-INIZCTEOSA-N 1 3 312.498 3.400 20 30 DGEDHO CCCC[C@H]1C[C@H](NCCCOc2ccccc2C#N)CC[NH2+]1 ZINC001246328386 1104492712 /nfs/dbraw/zinc/49/27/12/1104492712.db2.gz LRFSRECNGULVMR-ZWKOTPCHSA-N 1 3 315.461 3.228 20 30 DGEDHO CCCCCCCCCC[C@@H](C)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246644439 1104642523 /nfs/dbraw/zinc/64/25/23/1104642523.db2.gz HTHVVZWDPFAOCY-QRVBRYPASA-N 1 3 310.526 3.419 20 30 DGEDHO N#Cc1ccc(CC2CC[NH+]([C@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC001246807614 1104683937 /nfs/dbraw/zinc/68/39/37/1104683937.db2.gz SSERQSYNSLFTQG-FQEVSTJZSA-N 1 3 323.484 3.487 20 30 DGEDHO N#Cc1cccc(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)c1 ZINC001275290713 1104707254 /nfs/dbraw/zinc/70/72/54/1104707254.db2.gz YJMHHQXDUGQGGQ-UHFFFAOYSA-N 1 3 309.457 3.399 20 30 DGEDHO C[NH+]1CCC2(CCN(Cc3cc4ccc(C#N)cc4[nH]3)CC2)CC1 ZINC001249430028 1105286714 /nfs/dbraw/zinc/28/67/14/1105286714.db2.gz ASFNFNWOSBLITD-UHFFFAOYSA-N 1 3 322.456 3.347 20 30 DGEDHO CC[C@H](CC#N)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162062 1106195015 /nfs/dbraw/zinc/19/50/15/1106195015.db2.gz GCXYBFABAPIAQU-GUDVDZBRSA-N 1 3 310.445 3.322 20 30 DGEDHO CC(C)CN1CCC([NH2+]CCCOc2cccc(C#N)c2)CC1 ZINC001258005541 1106656637 /nfs/dbraw/zinc/65/66/37/1106656637.db2.gz UDWFDARFPABTDN-UHFFFAOYSA-N 1 3 315.461 3.037 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001263126969 1107954838 /nfs/dbraw/zinc/95/48/38/1107954838.db2.gz BPSGGFMRDJMYMN-FGTMMUONSA-N 1 3 323.525 3.055 20 30 DGEDHO Cc1cc(CNCc2cccc(OCC[NH+](C)C)c2)ccc1C#N ZINC000443975109 239245178 /nfs/dbraw/zinc/24/51/78/239245178.db2.gz YHPSZZUZWIJXLO-UHFFFAOYSA-N 1 3 323.440 3.097 20 30 DGEDHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(OCC#N)cc1 ZINC000183207620 533338965 /nfs/dbraw/zinc/33/89/65/533338965.db2.gz SUIVMOSQUGKNHS-OAHLLOKOSA-N 1 3 313.445 3.114 20 30 DGEDHO N#Cc1ccc(CN2CCC[C@H](CC[NH3+])C2)c(C(F)(F)F)c1 ZINC000595895377 400289080 /nfs/dbraw/zinc/28/90/80/400289080.db2.gz KVTUQQYXEKAPAC-GFCCVEGCSA-N 1 3 311.351 3.138 20 30 DGEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000591578291 400541767 /nfs/dbraw/zinc/54/17/67/400541767.db2.gz MUVWSXFUAUTNSX-FQEVSTJZSA-N 1 3 303.409 3.329 20 30 DGEDHO C=CCC[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccco1 ZINC000635006716 401401129 /nfs/dbraw/zinc/40/11/29/401401129.db2.gz CJUZTCVBKVRMCG-MRXNPFEDSA-N 1 3 312.417 3.204 20 30 DGEDHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(C#N)cc2F)C1 ZINC000269404622 432169931 /nfs/dbraw/zinc/16/99/31/432169931.db2.gz HGTYKJNHYZUGMZ-HNNXBMFYSA-N 1 3 303.425 3.299 20 30 DGEDHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(C#N)cc2F)C1 ZINC000269404622 432169934 /nfs/dbraw/zinc/16/99/34/432169934.db2.gz HGTYKJNHYZUGMZ-HNNXBMFYSA-N 1 3 303.425 3.299 20 30 DGEDHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C)C(C)C ZINC000246862624 432174938 /nfs/dbraw/zinc/17/49/38/432174938.db2.gz DADHDBWOBZBIHJ-WJFTUGDTSA-N 1 3 307.526 3.003 20 30 DGEDHO C[NH+](C)CC1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000350177800 229221060 /nfs/dbraw/zinc/22/10/60/229221060.db2.gz UQYLVUZWNPZXGC-UHFFFAOYSA-N 1 3 315.461 3.143 20 30 DGEDHO CC[NH+](CC)CC1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000347263957 264186521 /nfs/dbraw/zinc/18/65/21/264186521.db2.gz IGVKQMLZFRKWKU-UHFFFAOYSA-N 1 3 315.461 3.121 20 30 DGEDHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(OCC#N)cc1 ZINC000194190981 432531186 /nfs/dbraw/zinc/53/11/86/432531186.db2.gz KOCPVPYKTXWZAI-DLBZAZTESA-N 1 3 315.461 3.362 20 30 DGEDHO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000178254856 432712524 /nfs/dbraw/zinc/71/25/24/432712524.db2.gz QNRKWIOVMMTWAB-INIZCTEOSA-N 1 3 312.457 3.224 20 30 DGEDHO C[N@@H+](Cc1cccc(C#N)c1)CC1CCN(c2ccncc2)CC1 ZINC000354883760 433342826 /nfs/dbraw/zinc/34/28/26/433342826.db2.gz XWLLWGZMYOTSAU-UHFFFAOYSA-N 1 3 320.440 3.302 20 30 DGEDHO C[N@H+](Cc1cccc(C#N)c1)CC1CCN(c2ccncc2)CC1 ZINC000354883760 433342832 /nfs/dbraw/zinc/34/28/32/433342832.db2.gz XWLLWGZMYOTSAU-UHFFFAOYSA-N 1 3 320.440 3.302 20 30 DGEDHO N#Cc1ccc(CNCCCCC[NH+]2CCCCC2)cc1F ZINC000421329318 433480710 /nfs/dbraw/zinc/48/07/10/433480710.db2.gz VFDUNZKNTFAUKD-UHFFFAOYSA-N 1 3 303.425 3.443 20 30 DGEDHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(C#N)c(F)c2)C1 ZINC000421332525 433480766 /nfs/dbraw/zinc/48/07/66/433480766.db2.gz MDPLLWASRJNFLK-HNNXBMFYSA-N 1 3 303.425 3.299 20 30 DGEDHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(C#N)c(F)c2)C1 ZINC000421332525 433480780 /nfs/dbraw/zinc/48/07/80/433480780.db2.gz MDPLLWASRJNFLK-HNNXBMFYSA-N 1 3 303.425 3.299 20 30 DGEDHO CC(C)CCNC(=[NH2+])NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000304809940 434018467 /nfs/dbraw/zinc/01/84/67/434018467.db2.gz VZTMGQOKXPTGEO-ZBFHGGJFSA-N 1 3 322.522 3.081 20 30 DGEDHO C#CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000294328383 434087306 /nfs/dbraw/zinc/08/73/06/434087306.db2.gz XMRGGFNPXNIXHT-HXUWFJFHSA-N 1 3 305.425 3.405 20 30 DGEDHO N#Cc1ccccc1CSCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422999713 434158949 /nfs/dbraw/zinc/15/89/49/434158949.db2.gz YHEGWMFBHAYXKP-SJORKVTESA-N 1 3 303.475 3.041 20 30 DGEDHO N#C[C@@H]1CCC[C@@H](NC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)C1 ZINC000423476774 434439649 /nfs/dbraw/zinc/43/96/49/434439649.db2.gz RJMHGPKTIDOMJH-OPNNQBFTSA-N 1 3 315.436 3.191 20 30 DGEDHO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CNCC[C@H]2c2ccc(F)cc2)C1 ZINC000423476774 434439659 /nfs/dbraw/zinc/43/96/59/434439659.db2.gz RJMHGPKTIDOMJH-OPNNQBFTSA-N 1 3 315.436 3.191 20 30 DGEDHO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000424321627 434696348 /nfs/dbraw/zinc/69/63/48/434696348.db2.gz HIFBTVAIJWBIBD-JAZQRGJZSA-N 1 3 309.457 3.179 20 30 DGEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000424321627 434696356 /nfs/dbraw/zinc/69/63/56/434696356.db2.gz HIFBTVAIJWBIBD-JAZQRGJZSA-N 1 3 309.457 3.179 20 30 DGEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000424321627 434696360 /nfs/dbraw/zinc/69/63/60/434696360.db2.gz HIFBTVAIJWBIBD-JAZQRGJZSA-N 1 3 309.457 3.179 20 30 DGEDHO C=CCOc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656786263 436044157 /nfs/dbraw/zinc/04/41/57/436044157.db2.gz RABAVJJTGCWHDD-LJQANCHMSA-N 1 3 314.473 3.463 20 30 DGEDHO C=CCC[C@H](CCC)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658139523 436385973 /nfs/dbraw/zinc/38/59/73/436385973.db2.gz MRUHJYOSPVAMMW-VQTJNVASSA-N 1 3 316.489 3.478 20 30 DGEDHO C=C(C)C[NH+]1CCC(NCc2ccc(C(C)(C)O)cc2)CC1 ZINC000295259283 335134458 /nfs/dbraw/zinc/13/44/58/335134458.db2.gz BQRQTWSJDYVIFI-UHFFFAOYSA-N 1 3 302.462 3.044 20 30 DGEDHO C[N@H+](CCC1CCN(c2ccncc2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000293730660 334201522 /nfs/dbraw/zinc/20/15/22/334201522.db2.gz GQVCFZIAGWKIRI-PKOBYXMFSA-N 1 3 312.461 3.312 20 30 DGEDHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000293730660 334201524 /nfs/dbraw/zinc/20/15/24/334201524.db2.gz GQVCFZIAGWKIRI-PKOBYXMFSA-N 1 3 312.461 3.312 20 30 DGEDHO C=CCCCC[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000472041200 534691159 /nfs/dbraw/zinc/69/11/59/534691159.db2.gz CXEMXNVPRYHJQP-UHFFFAOYSA-N 1 3 301.478 3.274 20 30 DGEDHO CC(C)(CCC#N)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000180274879 526998195 /nfs/dbraw/zinc/99/81/95/526998195.db2.gz QKSKNIQCDBZJFV-UHFFFAOYSA-N 1 3 300.450 3.218 20 30 DGEDHO CC(C)CN1CCC([NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000183207489 527963950 /nfs/dbraw/zinc/96/39/50/527963950.db2.gz XRJMVISIDRFLFD-MRXNPFEDSA-N 1 3 315.461 3.360 20 30 DGEDHO CN(C)CCOc1ccccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449108794 535914443 /nfs/dbraw/zinc/91/44/43/535914443.db2.gz VTHPLNQJPCIROV-UHFFFAOYSA-N 1 3 315.461 3.189 20 30 DGEDHO C=CCCC[C@@H](C)[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000678722478 548752856 /nfs/dbraw/zinc/75/28/56/548752856.db2.gz ZCFIPBXCOLPPMY-GOSISDBHSA-N 1 3 307.526 3.222 20 30 DGEDHO C=CCC[C@H](O)CN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000685412699 549755502 /nfs/dbraw/zinc/75/55/02/549755502.db2.gz YSXHLVGOHMHQAY-SJORKVTESA-N 1 3 322.518 3.137 20 30 DGEDHO C=CCC[C@H](O)CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000685412699 549755505 /nfs/dbraw/zinc/75/55/05/549755505.db2.gz YSXHLVGOHMHQAY-SJORKVTESA-N 1 3 322.518 3.137 20 30 DGEDHO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC[N@H+](C)[C@H](C)C2)c([O-])c1 ZINC000741465099 574549731 /nfs/dbraw/zinc/54/97/31/574549731.db2.gz SXVISEFNMOXEKG-GNRRYOLQSA-N 1 3 303.450 3.140 20 30 DGEDHO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([O-])c1 ZINC000741465099 574549733 /nfs/dbraw/zinc/54/97/33/574549733.db2.gz SXVISEFNMOXEKG-GNRRYOLQSA-N 1 3 303.450 3.140 20 30 DGEDHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000740886358 574944962 /nfs/dbraw/zinc/94/49/62/574944962.db2.gz OCNXFHLLUVXCJM-FUHWJXTLSA-N 1 3 315.461 3.132 20 30 DGEDHO CC[N@H+]1CC[C@@H](N(C)CCCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000740886358 574944963 /nfs/dbraw/zinc/94/49/63/574944963.db2.gz OCNXFHLLUVXCJM-FUHWJXTLSA-N 1 3 315.461 3.132 20 30 DGEDHO C#CCCN(CCOC)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000852750543 620645516 /nfs/dbraw/zinc/64/55/16/620645516.db2.gz YBQWSLRQNYXTSY-UHFFFAOYSA-N 1 3 314.473 3.144 20 30 DGEDHO C[C@H](NCCCCC[NH+]1CCCCC1)c1cc(C#N)ccn1 ZINC000902802096 619675497 /nfs/dbraw/zinc/67/54/97/619675497.db2.gz IBUKLKRXZWUOHP-INIZCTEOSA-N 1 3 300.450 3.260 20 30 DGEDHO CC(C)[NH+]1CCC(CCN[C@H](C)c2cc(C#N)ccn2)CC1 ZINC000903077506 619712380 /nfs/dbraw/zinc/71/23/80/619712380.db2.gz KKSZANLQWRAQTH-OAHLLOKOSA-N 1 3 300.450 3.114 20 30 DGEDHO N#Cc1cc(Cl)cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000903454456 619779317 /nfs/dbraw/zinc/77/93/17/619779317.db2.gz ZXIOSWQLTGBPFW-HZPDHXFCSA-N 1 3 303.837 3.033 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)Nc1ccccc1C[NH2+]C ZINC000911682903 620341201 /nfs/dbraw/zinc/34/12/01/620341201.db2.gz RQDWCHWYUUWKKY-INIZCTEOSA-N 1 3 305.466 3.422 20 30 DGEDHO CCCCCCCC[C@@H](N)C(=O)Nc1ccccc1C[NH2+]C ZINC000911682904 620341315 /nfs/dbraw/zinc/34/13/15/620341315.db2.gz RQDWCHWYUUWKKY-MRXNPFEDSA-N 1 3 305.466 3.422 20 30 DGEDHO C=C(CC)C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604186 621007707 /nfs/dbraw/zinc/00/77/07/621007707.db2.gz SWEGQMSXEDRQGS-LJQANCHMSA-N 1 3 317.477 3.341 20 30 DGEDHO C=C(CC)C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604186 621007711 /nfs/dbraw/zinc/00/77/11/621007711.db2.gz SWEGQMSXEDRQGS-LJQANCHMSA-N 1 3 317.477 3.341 20 30 DGEDHO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000873244243 623089387 /nfs/dbraw/zinc/08/93/87/623089387.db2.gz KORXFSXIPJGGPE-GDBMZVCRSA-N 1 3 301.434 3.018 20 30 DGEDHO C#CCOc1cccc(Cl)c1CNCC1(C)CC[NH+](C)CC1 ZINC000778179640 623621310 /nfs/dbraw/zinc/62/13/10/623621310.db2.gz XYOGPECRYUALSV-UHFFFAOYSA-N 1 3 320.864 3.174 20 30 DGEDHO CC(C)[NH+]1CCC(CCNCc2cc(C#N)cnc2Cl)CC1 ZINC000877697040 623994884 /nfs/dbraw/zinc/99/48/84/623994884.db2.gz GHLAOHZMAZBSLJ-UHFFFAOYSA-N 1 3 320.868 3.207 20 30 DGEDHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000817961717 627976655 /nfs/dbraw/zinc/97/66/55/627976655.db2.gz ATDDFUFCJRDVHS-GJZGRUSLSA-N 1 3 309.413 3.459 20 30 DGEDHO C#Cc1cccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000834902462 629804008 /nfs/dbraw/zinc/80/40/08/629804008.db2.gz IMVPOQDTQQPOHI-KRWDZBQOSA-N 1 3 322.452 3.459 20 30 DGEDHO CCN1CCC[C@H]1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849056914 631821466 /nfs/dbraw/zinc/82/14/66/631821466.db2.gz DRQGDXDSNNCQGG-SFHVURJKSA-N 1 3 314.477 3.425 20 30 DGEDHO CN(C)[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)C1CCCCC1 ZINC000262328420 655814406 /nfs/dbraw/zinc/81/44/06/655814406.db2.gz XLORAXGXNVMUPU-MRXNPFEDSA-N 1 3 324.419 3.202 20 30 DGEDHO CCCCN1CCC([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000236759921 656958005 /nfs/dbraw/zinc/95/80/05/656958005.db2.gz GYZJQAZJPQRLJW-INIZCTEOSA-N 1 3 315.461 3.332 20 30 DGEDHO CCCCCCCN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000157701835 661868635 /nfs/dbraw/zinc/86/86/35/661868635.db2.gz LKWTTYSJBCUSOM-OALUTQOASA-N 1 3 309.542 3.447 20 30 DGEDHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)[C@@H]2C1 ZINC001660251684 1196462619 /nfs/dbraw/zinc/46/26/19/1196462619.db2.gz ZWRDQCVJNTWDBJ-IQPQKUJJSA-N 1 3 323.484 3.320 20 30 DGEDHO C[NH+](C)Cc1cccc(CNC2CC(C#N)(c3ccccc3)C2)c1 ZINC000125687819 1200457192 /nfs/dbraw/zinc/45/71/92/1200457192.db2.gz RGVUYSXEDGVQPE-UHFFFAOYSA-N 1 3 319.452 3.462 20 30 DGEDHO CN1CC[C@@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]2C1 ZINC001170383851 1082364764 /nfs/dbraw/zinc/36/47/64/1082364764.db2.gz QCRBDBMQKFGFLS-BDWAOYLISA-N 1 3 323.484 3.274 20 30 DGEDHO CN1CC[C@@H]2C[N@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]2C1 ZINC001170383851 1082364768 /nfs/dbraw/zinc/36/47/68/1082364768.db2.gz QCRBDBMQKFGFLS-BDWAOYLISA-N 1 3 323.484 3.274 20 30 DGEDHO C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369495 1083280513 /nfs/dbraw/zinc/28/05/13/1083280513.db2.gz NHLMPEYALGRMGW-IAGOWNOFSA-N 1 3 323.525 3.090 20 30 DGEDHO C=CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583682 1083309406 /nfs/dbraw/zinc/30/94/06/1083309406.db2.gz NDQBXUCWXVXPES-IRXDYDNUSA-N 1 3 323.525 3.090 20 30 DGEDHO C=CCC[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001483338559 1087475555 /nfs/dbraw/zinc/47/55/55/1087475555.db2.gz GGCIQADBEDPRIX-IRXDYDNUSA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001483338559 1087475557 /nfs/dbraw/zinc/47/55/57/1087475557.db2.gz GGCIQADBEDPRIX-IRXDYDNUSA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001153367658 1088234223 /nfs/dbraw/zinc/23/42/23/1088234223.db2.gz BAWMIQMUGPAKNA-QGZVFWFLSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001153367658 1088234233 /nfs/dbraw/zinc/23/42/33/1088234233.db2.gz BAWMIQMUGPAKNA-QGZVFWFLSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153827976 1088375613 /nfs/dbraw/zinc/37/56/13/1088375613.db2.gz DRCPEYOTAUOCFS-QGZVFWFLSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153827976 1088375628 /nfs/dbraw/zinc/37/56/28/1088375628.db2.gz DRCPEYOTAUOCFS-QGZVFWFLSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001155619911 1089188959 /nfs/dbraw/zinc/18/89/59/1089188959.db2.gz BUCIWNXSAXXPOF-MSOLQXFVSA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001155619911 1089188961 /nfs/dbraw/zinc/18/89/61/1089188961.db2.gz BUCIWNXSAXXPOF-MSOLQXFVSA-N 1 3 323.525 3.042 20 30 DGEDHO CC(=NCc1cccc(C[NH3+])c1)Nc1cc2[nH]ccc2c(C)n1 ZINC001163473820 1090194017 /nfs/dbraw/zinc/19/40/17/1090194017.db2.gz WWMZUVALNHFWLC-UHFFFAOYSA-N 1 3 307.401 3.361 20 30 DGEDHO [NH3+][C@H]1CCCN(Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001205102537 1091102858 /nfs/dbraw/zinc/10/28/58/1091102858.db2.gz STWMGJLFEHPIHV-NRFANRHFSA-N 1 3 304.437 3.400 20 30 DGEDHO CCCCCCC[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208341351 1092320127 /nfs/dbraw/zinc/32/01/27/1092320127.db2.gz ZNAXPCQYYOXKCS-KRWDZBQOSA-N 1 3 323.525 3.022 20 30 DGEDHO C[C@H](Cc1cccc(C#N)c1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001171178657 1095651555 /nfs/dbraw/zinc/65/15/55/1095651555.db2.gz JCOCOGKEURUGMP-FGTMMUONSA-N 1 3 313.489 3.447 20 30 DGEDHO C[C@H](Cc1cccc(C#N)c1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001171178657 1095651562 /nfs/dbraw/zinc/65/15/62/1095651562.db2.gz JCOCOGKEURUGMP-FGTMMUONSA-N 1 3 313.489 3.447 20 30 DGEDHO N=C(Nc1ccccc1CC[NH3+])c1ccc2cc(O)ccc2c1 ZINC001171182136 1095655502 /nfs/dbraw/zinc/65/55/02/1095655502.db2.gz IRDWJTIKUFTXIO-UHFFFAOYSA-N 1 3 305.381 3.084 20 30 DGEDHO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001171193717 1095694934 /nfs/dbraw/zinc/69/49/34/1095694934.db2.gz YNMWZLOXQDYQAN-INIZCTEOSA-N 1 3 311.473 3.486 20 30 DGEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N(C)CC ZINC001227150386 1096880807 /nfs/dbraw/zinc/88/08/07/1096880807.db2.gz PUVLJJRYABHSFF-BRWVUGGUSA-N 1 3 323.525 3.088 20 30 DGEDHO C=CCOC1CCC([NH2+]CCCN2C[C@H](C)C[C@H](C)C2)CC1 ZINC001173311711 1097408016 /nfs/dbraw/zinc/40/80/16/1097408016.db2.gz OMVUDWCEFSSSTG-LPOKXYRGSA-N 1 3 308.510 3.458 20 30 DGEDHO N#Cc1cccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC001235428678 1099023517 /nfs/dbraw/zinc/02/35/17/1099023517.db2.gz OSQHZPJNCGFFGG-HOTGVXAUSA-N 1 3 317.864 3.423 20 30 DGEDHO CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001188138712 1099694862 /nfs/dbraw/zinc/69/48/62/1099694862.db2.gz ACEZPSSXAPOFBM-MSOLQXFVSA-N 1 3 323.525 3.022 20 30 DGEDHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccccc3C#Cc3ccccc3)C[C@H]12 ZINC001236829863 1099814127 /nfs/dbraw/zinc/81/41/27/1099814127.db2.gz LICQSOVMBHFQBM-BHIFYINESA-N 1 3 316.448 3.256 20 30 DGEDHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccccc3C#Cc3ccccc3)C[C@H]12 ZINC001236829864 1099814646 /nfs/dbraw/zinc/81/46/46/1099814646.db2.gz LICQSOVMBHFQBM-FDFHNCONSA-N 1 3 316.448 3.256 20 30 DGEDHO CCCCCCCCCOC(=O)NCCCN(C)CCC[NH3+] ZINC001239321592 1100631274 /nfs/dbraw/zinc/63/12/74/1100631274.db2.gz XLQZTXBQCWCKOZ-UHFFFAOYSA-N 1 3 315.502 3.134 20 30 DGEDHO CCCCCCCCCC[C@H](O)CN[C@@H](C1CC1)C1C[NH2+]C1 ZINC001246018460 1104354435 /nfs/dbraw/zinc/35/44/35/1104354435.db2.gz FUKJWIHMPYPPKI-OALUTQOASA-N 1 3 310.526 3.466 20 30 DGEDHO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246039517 1104356090 /nfs/dbraw/zinc/35/60/90/1104356090.db2.gz NEHHQIXEYYRGSI-RCCFBDPRSA-N 1 3 314.489 3.121 20 30 DGEDHO CCCCCCCC[C@H](O)C[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246039517 1104356100 /nfs/dbraw/zinc/35/61/00/1104356100.db2.gz NEHHQIXEYYRGSI-RCCFBDPRSA-N 1 3 314.489 3.121 20 30 DGEDHO C=CCCCCCC[C@H](O)CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001246071246 1104363815 /nfs/dbraw/zinc/36/38/15/1104363815.db2.gz RGFUNPJYDFSFLV-HKUYNNGSSA-N 1 3 308.510 3.338 20 30 DGEDHO C=CCCCCCC[C@@H](O)CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001246071251 1104364311 /nfs/dbraw/zinc/36/43/11/1104364311.db2.gz RGFUNPJYDFSFLV-IEBWSBKVSA-N 1 3 308.510 3.338 20 30 DGEDHO CC[C@H]1CC(NCCCOc2cccc(C#N)c2)C[C@H](CC)[NH2+]1 ZINC001246331468 1104494079 /nfs/dbraw/zinc/49/40/79/1104494079.db2.gz XHCYHZXTFLVJRE-IRXDYDNUSA-N 1 3 315.461 3.226 20 30 DGEDHO CCCCCCCCCC[C@H](C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246416814 1104533144 /nfs/dbraw/zinc/53/31/44/1104533144.db2.gz MGXSHUBICRRNKR-IRXDYDNUSA-N 1 3 313.530 3.478 20 30 DGEDHO C=CCC[C@H](C)N1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001246632953 1104638933 /nfs/dbraw/zinc/63/89/33/1104638933.db2.gz CRFAUADFUHUFCD-INIZCTEOSA-N 1 3 314.473 3.487 20 30 DGEDHO CCCCCCCCCC[C@H](C)N1CC(N2CC[NH2+]CC2)C1 ZINC001246893308 1104725343 /nfs/dbraw/zinc/72/53/43/1104725343.db2.gz JCOZSDAMNXOEOW-SFHVURJKSA-N 1 3 309.542 3.495 20 30 DGEDHO C=CCCCCC[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001276039873 1105003069 /nfs/dbraw/zinc/00/30/69/1105003069.db2.gz DOYFVSBKQRNTFU-UHFFFAOYSA-N 1 3 316.493 3.027 20 30 DGEDHO CCCCCCCCCC[C@H](O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001252985830 1105865139 /nfs/dbraw/zinc/86/51/39/1105865139.db2.gz QASMRJQLJODVDE-OTWHNJEPSA-N 1 3 310.526 3.372 20 30 DGEDHO CCCCCCCCCC[C@H](O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001252985830 1105865150 /nfs/dbraw/zinc/86/51/50/1105865150.db2.gz QASMRJQLJODVDE-OTWHNJEPSA-N 1 3 310.526 3.372 20 30 DGEDHO N#C[C@H]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001254636836 1106118678 /nfs/dbraw/zinc/11/86/78/1106118678.db2.gz NZQJAJBVEHNYOK-FSGKZVOOSA-N 1 3 309.457 3.464 20 30 DGEDHO N#C[C@H]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001254636836 1106118682 /nfs/dbraw/zinc/11/86/82/1106118682.db2.gz NZQJAJBVEHNYOK-FSGKZVOOSA-N 1 3 309.457 3.464 20 30 DGEDHO CC[C@H](CC#N)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001255159842 1106194447 /nfs/dbraw/zinc/19/44/47/1106194447.db2.gz CGVOHNYIZZWWDY-QGZVFWFLSA-N 1 3 303.425 3.320 20 30 DGEDHO CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001316978387 1106840574 /nfs/dbraw/zinc/84/05/74/1106840574.db2.gz WLTPOQWJVPVWNO-MSOLQXFVSA-N 1 3 323.525 3.020 20 30 DGEDHO CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001316978387 1106840584 /nfs/dbraw/zinc/84/05/84/1106840584.db2.gz WLTPOQWJVPVWNO-MSOLQXFVSA-N 1 3 323.525 3.020 20 30 DGEDHO CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001316978388 1106841633 /nfs/dbraw/zinc/84/16/33/1106841633.db2.gz WLTPOQWJVPVWNO-QZTJIDSGSA-N 1 3 323.525 3.020 20 30 DGEDHO CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001316978388 1106841640 /nfs/dbraw/zinc/84/16/40/1106841640.db2.gz WLTPOQWJVPVWNO-QZTJIDSGSA-N 1 3 323.525 3.020 20 30 DGEDHO COc1ccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)cc1C#N ZINC000174272527 198313539 /nfs/dbraw/zinc/31/35/39/198313539.db2.gz HKGBPCOYYIAFGR-INIZCTEOSA-N 1 3 315.461 3.311 20 30 DGEDHO COc1ccc(CNCCCC[N@H+]2CCCC[C@@H]2C)cc1C#N ZINC000174272527 198313541 /nfs/dbraw/zinc/31/35/41/198313541.db2.gz HKGBPCOYYIAFGR-INIZCTEOSA-N 1 3 315.461 3.311 20 30 DGEDHO N#Cc1ccc(CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000595388088 400137592 /nfs/dbraw/zinc/13/75/92/400137592.db2.gz UISRXPQEJQMHHJ-AZUAARDMSA-N 1 3 309.457 3.049 20 30 DGEDHO N#Cc1ccc(CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000595388088 400137596 /nfs/dbraw/zinc/13/75/96/400137596.db2.gz UISRXPQEJQMHHJ-AZUAARDMSA-N 1 3 309.457 3.049 20 30 DGEDHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132020 400566302 /nfs/dbraw/zinc/56/63/02/400566302.db2.gz FRLBBUXXLBIXIG-HKUYNNGSSA-N 1 3 309.457 3.158 20 30 DGEDHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132020 400566306 /nfs/dbraw/zinc/56/63/06/400566306.db2.gz FRLBBUXXLBIXIG-HKUYNNGSSA-N 1 3 309.457 3.158 20 30 DGEDHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132020 400566308 /nfs/dbraw/zinc/56/63/08/400566308.db2.gz FRLBBUXXLBIXIG-HKUYNNGSSA-N 1 3 309.457 3.158 20 30 DGEDHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132020 400566311 /nfs/dbraw/zinc/56/63/11/400566311.db2.gz FRLBBUXXLBIXIG-HKUYNNGSSA-N 1 3 309.457 3.158 20 30 DGEDHO C[C@@H](c1ccc(C#N)cc1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844369 400589913 /nfs/dbraw/zinc/58/99/13/400589913.db2.gz CHQZMZZOFGOACZ-INIZCTEOSA-N 1 3 306.413 3.227 20 30 DGEDHO N#Cc1ccccc1CSCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000247064330 432197984 /nfs/dbraw/zinc/19/79/84/432197984.db2.gz VOLZRZNIVBDEOF-MSOLQXFVSA-N 1 3 315.486 3.008 20 30 DGEDHO N#Cc1ccccc1CSCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000247064330 432197988 /nfs/dbraw/zinc/19/79/88/432197988.db2.gz VOLZRZNIVBDEOF-MSOLQXFVSA-N 1 3 315.486 3.008 20 30 DGEDHO C#CCCOc1ccc(CNCc2cccc(C[NH+](C)C)c2)cc1 ZINC000113318050 431341984 /nfs/dbraw/zinc/34/19/84/431341984.db2.gz XZTUTHOKCVGXQV-UHFFFAOYSA-N 1 3 322.452 3.440 20 30 DGEDHO CN1CCC[C@H](C[N@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000092253562 431908978 /nfs/dbraw/zinc/90/89/78/431908978.db2.gz IMIRMLVCJGPYQO-SFHVURJKSA-N 1 3 315.461 3.143 20 30 DGEDHO CN1CCC[C@H](C[N@@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000092253562 431908980 /nfs/dbraw/zinc/90/89/80/431908980.db2.gz IMIRMLVCJGPYQO-SFHVURJKSA-N 1 3 315.461 3.143 20 30 DGEDHO CCCCCCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000124376078 431891467 /nfs/dbraw/zinc/89/14/67/431891467.db2.gz DAQICBOMWRMRCA-UHFFFAOYSA-N 1 3 323.525 3.022 20 30 DGEDHO N#Cc1csc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192924088 432429413 /nfs/dbraw/zinc/42/94/13/432429413.db2.gz GJQOCWLLFLLWTE-MRXNPFEDSA-N 1 3 311.454 3.231 20 30 DGEDHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cc(C#N)cs2)C1 ZINC000177685841 432649311 /nfs/dbraw/zinc/64/93/11/432649311.db2.gz KSDKNCJAZMMENY-HUUCEWRRSA-N 1 3 305.491 3.467 20 30 DGEDHO CC[NH+](CC)Cc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000189578433 432800232 /nfs/dbraw/zinc/80/02/32/432800232.db2.gz USHWGTBYNIETKI-UHFFFAOYSA-N 1 3 310.445 3.028 20 30 DGEDHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000181616487 289951611 /nfs/dbraw/zinc/95/16/11/289951611.db2.gz MXAPHMMMCURAHM-ULQDDVLXSA-N 1 3 315.461 3.098 20 30 DGEDHO C[C@H](NCC(C)(C)CC#N)c1cccc(OCC[NH+](C)C)c1 ZINC000414168784 433435858 /nfs/dbraw/zinc/43/58/58/433435858.db2.gz RCGYYYAABUVHNT-HNNXBMFYSA-N 1 3 303.450 3.217 20 30 DGEDHO C#CCCOc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000375510827 433481911 /nfs/dbraw/zinc/48/19/11/433481911.db2.gz ZWSWCGMQHBHOOW-UHFFFAOYSA-N 1 3 312.457 3.149 20 30 DGEDHO C#CCCOc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000375510827 433481918 /nfs/dbraw/zinc/48/19/18/433481918.db2.gz ZWSWCGMQHBHOOW-UHFFFAOYSA-N 1 3 312.457 3.149 20 30 DGEDHO C#CCCOc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1 ZINC000375510827 433481926 /nfs/dbraw/zinc/48/19/26/433481926.db2.gz ZWSWCGMQHBHOOW-UHFFFAOYSA-N 1 3 312.457 3.149 20 30 DGEDHO C=CCC[C@@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccco1 ZINC000285456548 433951351 /nfs/dbraw/zinc/95/13/51/433951351.db2.gz ABIDIZATOJQDQT-GOSISDBHSA-N 1 3 319.493 3.294 20 30 DGEDHO C=CCC[C@H]([NH2+]CCCCN1CCN(CC)CC1)c1ccco1 ZINC000285456551 433952021 /nfs/dbraw/zinc/95/20/21/433952021.db2.gz ABIDIZATOJQDQT-SFHVURJKSA-N 1 3 319.493 3.294 20 30 DGEDHO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(N)CCN(Cc2ccccc2)CC1 ZINC000423545484 434484705 /nfs/dbraw/zinc/48/47/05/434484705.db2.gz CRCYLHXVHWHVPQ-ZWKOTPCHSA-N 1 3 315.505 3.170 20 30 DGEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000661114992 435970429 /nfs/dbraw/zinc/97/04/29/435970429.db2.gz NYXHCXXQFMSXJQ-OALUTQOASA-N 1 3 307.526 3.127 20 30 DGEDHO C=CCC[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C1CC1 ZINC000658135508 436384350 /nfs/dbraw/zinc/38/43/50/436384350.db2.gz FDBUESLDMNQUDS-UXHICEINSA-N 1 3 314.473 3.088 20 30 DGEDHO C[N@H+](CCC1CCN(c2ccncc2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000293730653 334201449 /nfs/dbraw/zinc/20/14/49/334201449.db2.gz GQVCFZIAGWKIRI-HKUYNNGSSA-N 1 3 312.461 3.312 20 30 DGEDHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000293730653 334201451 /nfs/dbraw/zinc/20/14/51/334201451.db2.gz GQVCFZIAGWKIRI-HKUYNNGSSA-N 1 3 312.461 3.312 20 30 DGEDHO C[N@H+](CCC1CCN(c2ccncc2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000293730658 334201464 /nfs/dbraw/zinc/20/14/64/334201464.db2.gz GQVCFZIAGWKIRI-MJGOQNOKSA-N 1 3 312.461 3.312 20 30 DGEDHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000293730658 334201465 /nfs/dbraw/zinc/20/14/65/334201465.db2.gz GQVCFZIAGWKIRI-MJGOQNOKSA-N 1 3 312.461 3.312 20 30 DGEDHO C=CCOc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1Cl ZINC000347063623 526865240 /nfs/dbraw/zinc/86/52/40/526865240.db2.gz CFANDALSDBVXPE-ZDUSSCGKSA-N 1 3 308.853 3.464 20 30 DGEDHO CC(C)C[C@H](CNC(=O)C(C)C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000347100259 528528646 /nfs/dbraw/zinc/52/86/46/528528646.db2.gz FUWVKXKRTKDDHE-YQQAZPJKSA-N 1 3 301.434 3.028 20 30 DGEDHO C=CCOCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000679724357 548944661 /nfs/dbraw/zinc/94/46/61/548944661.db2.gz VENFBINQSKUODZ-SLFFLAALSA-N 1 3 314.473 3.079 20 30 DGEDHO C=CCOCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000679724357 548944666 /nfs/dbraw/zinc/94/46/66/548944666.db2.gz VENFBINQSKUODZ-SLFFLAALSA-N 1 3 314.473 3.079 20 30 DGEDHO C=CCOCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000679724357 548944670 /nfs/dbraw/zinc/94/46/70/548944670.db2.gz VENFBINQSKUODZ-SLFFLAALSA-N 1 3 314.473 3.079 20 30 DGEDHO C=CCCC[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000684110825 549581154 /nfs/dbraw/zinc/58/11/54/549581154.db2.gz YWDZIAUUCPGEIL-UHFFFAOYSA-N 1 3 301.478 3.274 20 30 DGEDHO N#Cc1ccc(CN2CCC3(C2)CC[NH2+]CC3)c(C(F)(F)F)c1 ZINC000852746649 620645723 /nfs/dbraw/zinc/64/57/23/620645723.db2.gz NTFWVZHSMOGQRT-UHFFFAOYSA-N 1 3 323.362 3.153 20 30 DGEDHO CN(c1ccccc1C=NOCC1CCC1)C1CC[NH+](C)CC1 ZINC000853439499 620694740 /nfs/dbraw/zinc/69/47/40/620694740.db2.gz JBGUWHMIUPXJPN-UHFFFAOYSA-N 1 3 315.461 3.368 20 30 DGEDHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902746977 619669394 /nfs/dbraw/zinc/66/93/94/619669394.db2.gz BRAIAOCPGNQLBY-HZPDHXFCSA-N 1 3 300.450 3.258 20 30 DGEDHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902746977 619669395 /nfs/dbraw/zinc/66/93/95/619669395.db2.gz BRAIAOCPGNQLBY-HZPDHXFCSA-N 1 3 300.450 3.258 20 30 DGEDHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1cc(C#N)ccn1 ZINC000902747712 619669469 /nfs/dbraw/zinc/66/94/69/619669469.db2.gz HMCXERMICNUXQZ-MRXNPFEDSA-N 1 3 300.450 3.116 20 30 DGEDHO CCN(CC)c1ccc(/C=[NH+]\C2CC[NH+](CC)CC2)c([O-])c1 ZINC000920944539 620828442 /nfs/dbraw/zinc/82/84/42/620828442.db2.gz ODRMMTWTDFWUPH-RGEXLXHISA-N 1 3 303.450 3.142 20 30 DGEDHO Cc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1C#N ZINC000922758994 621095195 /nfs/dbraw/zinc/09/51/95/621095195.db2.gz ILTASCHFHWVFNY-UHFFFAOYSA-N 1 3 323.440 3.097 20 30 DGEDHO C#CC[C@H](CCOC)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000862547394 621600133 /nfs/dbraw/zinc/60/01/33/621600133.db2.gz DPGJTRNWJHDDHF-ZHALLVOQSA-N 1 3 306.494 3.048 20 30 DGEDHO C#CC[C@H](CCOC)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000862547394 621600135 /nfs/dbraw/zinc/60/01/35/621600135.db2.gz DPGJTRNWJHDDHF-ZHALLVOQSA-N 1 3 306.494 3.048 20 30 DGEDHO N#Cc1cc(CN2CC[C@@H]3C[C@@H]3C2)cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000878987679 624402389 /nfs/dbraw/zinc/40/23/89/624402389.db2.gz JJQFXMQHMAJOII-XRXFAXGQSA-N 1 3 321.468 3.242 20 30 DGEDHO N#Cc1cc(CN2CC[C@@H]3C[C@@H]3C2)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000878987679 624402392 /nfs/dbraw/zinc/40/23/92/624402392.db2.gz JJQFXMQHMAJOII-XRXFAXGQSA-N 1 3 321.468 3.242 20 30 DGEDHO C=CC[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000879018967 624409034 /nfs/dbraw/zinc/40/90/34/624409034.db2.gz LPUPIZFAGSXZLW-VQIMIIECSA-N 1 3 317.477 3.340 20 30 DGEDHO C=CC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000879018967 624409035 /nfs/dbraw/zinc/40/90/35/624409035.db2.gz LPUPIZFAGSXZLW-VQIMIIECSA-N 1 3 317.477 3.340 20 30 DGEDHO N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000886630130 627176760 /nfs/dbraw/zinc/17/67/60/627176760.db2.gz VPXZWHWSVPMOLV-DEPCRRQNSA-N 1 3 309.457 3.321 20 30 DGEDHO N#C[C@@H]1CC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000886630130 627176762 /nfs/dbraw/zinc/17/67/62/627176762.db2.gz VPXZWHWSVPMOLV-DEPCRRQNSA-N 1 3 309.457 3.321 20 30 DGEDHO N#C[C@@H]1CC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886630130 627176764 /nfs/dbraw/zinc/17/67/64/627176764.db2.gz VPXZWHWSVPMOLV-DEPCRRQNSA-N 1 3 309.457 3.321 20 30 DGEDHO C#CCOc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000817969707 627978463 /nfs/dbraw/zinc/97/84/63/627978463.db2.gz YFRYZLGFZIYKOZ-OAHLLOKOSA-N 1 3 306.409 3.153 20 30 DGEDHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000844924917 630988015 /nfs/dbraw/zinc/98/80/15/630988015.db2.gz NJIPHTNVKUPIGZ-HNNXBMFYSA-N 1 3 309.413 3.159 20 30 DGEDHO c1ccc(NC(=[NH+]CCN2CCCC2)N2CCCCC2)cc1 ZINC000849053196 631820174 /nfs/dbraw/zinc/82/01/74/631820174.db2.gz KZZDKSZVLMAGOC-UHFFFAOYSA-N 1 3 300.450 3.036 20 30 DGEDHO CN(C)CC(C)(C)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237093044 657092015 /nfs/dbraw/zinc/09/20/15/657092015.db2.gz ACSGJXYQFRHTLZ-UHFFFAOYSA-N 1 3 303.450 3.047 20 30 DGEDHO CCN(CC)[C@@H](CNC(=[NH2+])Nc1ccc(OC)cc1)CC(C)C ZINC000303783613 657564286 /nfs/dbraw/zinc/56/42/86/657564286.db2.gz OKSMHQFPFKNGFP-MRXNPFEDSA-N 1 3 320.481 3.178 20 30 DGEDHO CCc1cccc(NC(=[NH2+])NC[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000303902921 657576849 /nfs/dbraw/zinc/57/68/49/657576849.db2.gz UIGNKIOTDPHHSK-CABCVRRESA-N 1 3 302.466 3.096 20 30 DGEDHO CCc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@@H]2C)cc1 ZINC000303911936 657578742 /nfs/dbraw/zinc/57/87/42/657578742.db2.gz ZXZMIDVGCZMKGO-LSDHHAIUSA-N 1 3 302.466 3.239 20 30 DGEDHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCCC1(C#N)CCC1 ZINC000930059960 659901650 /nfs/dbraw/zinc/90/16/50/659901650.db2.gz HNJROFSJWRLTGJ-FGTMMUONSA-N 1 3 319.493 3.034 20 30 DGEDHO N#Cc1ccc(CN2CCC3(CCC[C@@H]3C[NH3+])CC2)c(F)c1 ZINC001580066686 1192005936 /nfs/dbraw/zinc/00/59/36/1192005936.db2.gz PSUVWCNBFWJXLN-MRXNPFEDSA-N 1 3 301.409 3.038 20 30 DGEDHO C=C[C@@H](COC)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001354245441 1180756084 /nfs/dbraw/zinc/75/60/84/1180756084.db2.gz ZMYSOTYJYFOIEW-UMQXSMKFSA-N 1 3 314.473 3.363 20 30 DGEDHO CCCCCCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001569528139 1190713741 /nfs/dbraw/zinc/71/37/41/1190713741.db2.gz UCHAVZSRMFGJQH-QZTJIDSGSA-N 1 3 323.525 3.022 20 30 DGEDHO C=CCCCCCCCCCN1CCN(CC[NH+](C)C)CC1 ZINC001207897036 1081579885 /nfs/dbraw/zinc/57/98/85/1081579885.db2.gz ZELFCLUTAIJUPB-UHFFFAOYSA-N 1 3 309.542 3.472 20 30 DGEDHO C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369497 1083280549 /nfs/dbraw/zinc/28/05/49/1083280549.db2.gz NHLMPEYALGRMGW-SJORKVTESA-N 1 3 323.525 3.090 20 30 DGEDHO CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001154001040 1088433863 /nfs/dbraw/zinc/43/38/63/1088433863.db2.gz OOBQKKNMXHEGBT-IAGOWNOFSA-N 1 3 313.530 3.124 20 30 DGEDHO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001154001040 1088433871 /nfs/dbraw/zinc/43/38/71/1088433871.db2.gz OOBQKKNMXHEGBT-IAGOWNOFSA-N 1 3 313.530 3.124 20 30 DGEDHO C[NH+](C)CCCOc1ccc(CN2CCC[C@@H](C#N)CC2)cc1 ZINC001204270669 1090937401 /nfs/dbraw/zinc/93/74/01/1090937401.db2.gz XYPKLKFOBQBUAD-QGZVFWFLSA-N 1 3 315.461 3.143 20 30 DGEDHO C[C@H]1CN(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H]1C[NH3+] ZINC001205140540 1091110880 /nfs/dbraw/zinc/11/08/80/1091110880.db2.gz MPIHXDSGESAGFT-MAUKXSAKSA-N 1 3 321.424 3.377 20 30 DGEDHO C=CCCCC[N@@H+](C)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139259596 1091503417 /nfs/dbraw/zinc/50/34/17/1091503417.db2.gz XXJXHUVIOGTSPO-UHFFFAOYSA-N 1 3 306.450 3.251 20 30 DGEDHO C=CCCCC[N@H+](C)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139259596 1091503420 /nfs/dbraw/zinc/50/34/20/1091503420.db2.gz XXJXHUVIOGTSPO-UHFFFAOYSA-N 1 3 306.450 3.251 20 30 DGEDHO C[NH+]1CCC2(CCN(Cc3c[nH]c4c3cccc4C#N)CC2)CC1 ZINC001139707114 1091648632 /nfs/dbraw/zinc/64/86/32/1091648632.db2.gz QDGNLOCVISIIQI-UHFFFAOYSA-N 1 3 322.456 3.347 20 30 DGEDHO C[NH+]1CCC(CN2CCC(C#N)(c3ccccc3F)CC2)CC1 ZINC001207402766 1091955014 /nfs/dbraw/zinc/95/50/14/1091955014.db2.gz NVWYIZYQFOMGCU-UHFFFAOYSA-N 1 3 315.436 3.025 20 30 DGEDHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001208927773 1092590749 /nfs/dbraw/zinc/59/07/49/1092590749.db2.gz QUDVUKIEQWRMNB-VQTJNVASSA-N 1 3 311.473 3.440 20 30 DGEDHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC001208927773 1092590753 /nfs/dbraw/zinc/59/07/53/1092590753.db2.gz QUDVUKIEQWRMNB-VQTJNVASSA-N 1 3 311.473 3.440 20 30 DGEDHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1CCc1ccc(C#N)cc1 ZINC001208927773 1092590761 /nfs/dbraw/zinc/59/07/61/1092590761.db2.gz QUDVUKIEQWRMNB-VQTJNVASSA-N 1 3 311.473 3.440 20 30 DGEDHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1CCc1ccc(C#N)cc1 ZINC001208927773 1092590766 /nfs/dbraw/zinc/59/07/66/1092590766.db2.gz QUDVUKIEQWRMNB-VQTJNVASSA-N 1 3 311.473 3.440 20 30 DGEDHO C=CCCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001209422679 1092767472 /nfs/dbraw/zinc/76/74/72/1092767472.db2.gz GCUWSUJVQIXEHF-PMACEKPBSA-N 1 3 320.521 3.413 20 30 DGEDHO C=CCCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001209422679 1092767478 /nfs/dbraw/zinc/76/74/78/1092767478.db2.gz GCUWSUJVQIXEHF-PMACEKPBSA-N 1 3 320.521 3.413 20 30 DGEDHO CCN(CC)[C@H](CNC(=[NH2+])Nc1ccc(C)cc1)CC(C)C ZINC000303785441 1093848991 /nfs/dbraw/zinc/84/89/91/1093848991.db2.gz QJVOZSRAQXWHKD-KRWDZBQOSA-N 1 3 304.482 3.478 20 30 DGEDHO C[C@@H](Cc1cccc(C#N)c1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001171178658 1095651211 /nfs/dbraw/zinc/65/12/11/1095651211.db2.gz JCOCOGKEURUGMP-KSZLIROESA-N 1 3 313.489 3.447 20 30 DGEDHO C[C@@H](Cc1cccc(C#N)c1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001171178658 1095651219 /nfs/dbraw/zinc/65/12/19/1095651219.db2.gz JCOCOGKEURUGMP-KSZLIROESA-N 1 3 313.489 3.447 20 30 DGEDHO N=C(Nc1cccc2c1C[NH2+]CC2)c1ccc2cc(O)ccc2c1 ZINC001171182879 1095660651 /nfs/dbraw/zinc/66/06/51/1095660651.db2.gz UVOPFBYGVAEDST-UHFFFAOYSA-N 1 3 317.392 3.228 20 30 DGEDHO C=CCC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171237689 1095889642 /nfs/dbraw/zinc/88/96/42/1095889642.db2.gz RWFQESHXFMXMSE-DLBZAZTESA-N 1 3 323.525 3.090 20 30 DGEDHO C=CCOC1CCC([NH2+]CCCN2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001173311714 1097407660 /nfs/dbraw/zinc/40/76/60/1097407660.db2.gz OMVUDWCEFSSSTG-YYZRRKBYSA-N 1 3 308.510 3.458 20 30 DGEDHO C=CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001179746804 1099198163 /nfs/dbraw/zinc/19/81/63/1099198163.db2.gz YJAAVTOSIPCLQK-GOSISDBHSA-N 1 3 323.525 3.092 20 30 DGEDHO C#CCN(Cc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC001235834748 1099201521 /nfs/dbraw/zinc/20/15/21/1099201521.db2.gz ONOFBAQRFSLLPE-OAQYLSRUSA-N 1 3 302.421 3.413 20 30 DGEDHO C#Cc1ccc(C[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246270034 1104467173 /nfs/dbraw/zinc/46/71/73/1104467173.db2.gz ZYUGWZJLQWNQPZ-LEWJYISDSA-N 1 3 304.437 3.121 20 30 DGEDHO CC[C@@H]1CC(NCCCOc2ccccc2C#N)C[C@@H](CC)[NH2+]1 ZINC001246327081 1104490733 /nfs/dbraw/zinc/49/07/33/1104490733.db2.gz HYHRBWUYCALACT-IAGOWNOFSA-N 1 3 315.461 3.226 20 30 DGEDHO CCCCCCCCCC[C@@H](C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246416815 1104533663 /nfs/dbraw/zinc/53/36/63/1104533663.db2.gz MGXSHUBICRRNKR-SJORKVTESA-N 1 3 313.530 3.478 20 30 DGEDHO CCCCCCCCCC[C@H](C)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246644437 1104641765 /nfs/dbraw/zinc/64/17/65/1104641765.db2.gz HTHVVZWDPFAOCY-OTWHNJEPSA-N 1 3 310.526 3.419 20 30 DGEDHO N#CCCN([C@@H]1CSC2(C[NH2+]C2)C1)C1CCCCCCC1 ZINC001246768695 1104667540 /nfs/dbraw/zinc/66/75/40/1104667540.db2.gz GLVJGMMSWLVZGQ-INIZCTEOSA-N 1 3 307.507 3.162 20 30 DGEDHO N#C[C@@H]1CC[C@H]([NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)C1 ZINC001254665581 1106127312 /nfs/dbraw/zinc/12/73/12/1106127312.db2.gz OKJTXJFUMGCWHD-MJGOQNOKSA-N 1 3 324.472 3.062 20 30 DGEDHO N#C[C@@H]1CC[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001254668672 1106128382 /nfs/dbraw/zinc/12/83/82/1106128382.db2.gz HTYGRVUVTXHCPQ-MOPGFXCFSA-N 1 3 309.457 3.277 20 30 DGEDHO CC(C)(C)N1CCC([NH2+]CCCOc2ccccc2C#N)CC1 ZINC001256564169 1106445674 /nfs/dbraw/zinc/44/56/74/1106445674.db2.gz UCLCNPPFSJNIBM-UHFFFAOYSA-N 1 3 315.461 3.180 20 30 DGEDHO N=C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc2ccccc2n1 ZINC001256904246 1106506752 /nfs/dbraw/zinc/50/67/52/1106506752.db2.gz ILSQFYYXRZWZIQ-INIZCTEOSA-N 1 3 322.456 3.347 20 30 DGEDHO N=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)c1ccc2ccccc2n1 ZINC001256904246 1106506755 /nfs/dbraw/zinc/50/67/55/1106506755.db2.gz ILSQFYYXRZWZIQ-INIZCTEOSA-N 1 3 322.456 3.347 20 30 DGEDHO C=CCO[C@H]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC001320208980 1106928679 /nfs/dbraw/zinc/92/86/79/1106928679.db2.gz OBODSWIQLKILSX-IBGZPJMESA-N 1 3 316.489 3.422 20 30 DGEDHO C=CCO[C@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC001320208980 1106928693 /nfs/dbraw/zinc/92/86/93/1106928693.db2.gz OBODSWIQLKILSX-IBGZPJMESA-N 1 3 316.489 3.422 20 30 DGEDHO C=C(C)C[NH+]1CCC(NCc2ccc(-n3ccnc3)cc2)CC1 ZINC000106246291 432020475 /nfs/dbraw/zinc/02/04/75/432020475.db2.gz WSVKKFYMIFKNAN-UHFFFAOYSA-N 1 3 310.445 3.002 20 30 DGEDHO N#C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3cccs3)CC2)C1 ZINC000442798335 239127477 /nfs/dbraw/zinc/12/74/77/239127477.db2.gz WKIIKSBVLYINEG-HZPDHXFCSA-N 1 3 303.475 3.242 20 30 DGEDHO C=CCOc1ccc(CNCC2=CC[N@H+](C)CC2)cc1Cl ZINC000271770241 209200051 /nfs/dbraw/zinc/20/00/51/209200051.db2.gz BMEXNTWEYNZJCK-UHFFFAOYSA-N 1 3 306.837 3.256 20 30 DGEDHO C=CCOc1ccc(CNCC2=CC[N@@H+](C)CC2)cc1Cl ZINC000271770241 209200054 /nfs/dbraw/zinc/20/00/54/209200054.db2.gz BMEXNTWEYNZJCK-UHFFFAOYSA-N 1 3 306.837 3.256 20 30 DGEDHO C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000595429902 400147279 /nfs/dbraw/zinc/14/72/79/400147279.db2.gz IGXFZCVGQLAYNS-LPHOPBHVSA-N 1 3 311.473 3.343 20 30 DGEDHO N#CC[C@H]1CCCN(CCCC[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595621724 400209731 /nfs/dbraw/zinc/20/97/31/400209731.db2.gz XXRONKJYXPBWOD-HDICACEKSA-N 1 3 302.466 3.018 20 30 DGEDHO N#CC[C@H]1CCCN(CCCC[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595621724 400209733 /nfs/dbraw/zinc/20/97/33/400209733.db2.gz XXRONKJYXPBWOD-HDICACEKSA-N 1 3 302.466 3.018 20 30 DGEDHO N#CC[C@H]1CCC[N@@H+](CCCCN2CCC[C@@H](CC#N)C2)C1 ZINC000595621724 400209737 /nfs/dbraw/zinc/20/97/37/400209737.db2.gz XXRONKJYXPBWOD-HDICACEKSA-N 1 3 302.466 3.018 20 30 DGEDHO N#CC[C@H]1CCC[N@H+](CCCCN2CCC[C@@H](CC#N)C2)C1 ZINC000595621724 400209738 /nfs/dbraw/zinc/20/97/38/400209738.db2.gz XXRONKJYXPBWOD-HDICACEKSA-N 1 3 302.466 3.018 20 30 DGEDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000597012100 400539155 /nfs/dbraw/zinc/53/91/55/400539155.db2.gz KZEQVRXVRCTJTK-QFBILLFUSA-N 1 3 311.473 3.404 20 30 DGEDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000597012100 400539158 /nfs/dbraw/zinc/53/91/58/400539158.db2.gz KZEQVRXVRCTJTK-QFBILLFUSA-N 1 3 311.473 3.404 20 30 DGEDHO CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000350328159 266116466 /nfs/dbraw/zinc/11/64/66/266116466.db2.gz MQPZJYVVLDYOOF-VQIMIIECSA-N 1 3 315.461 3.052 20 30 DGEDHO CC[N@@H+]1CC[C@H](N(C)CCCOc2cccc(C#N)c2)C[C@@H]1C ZINC000357273755 266155645 /nfs/dbraw/zinc/15/56/45/266155645.db2.gz PCQDLUIAUZBMQP-WMZOPIPTSA-N 1 3 315.461 3.132 20 30 DGEDHO CC[N@H+]1CC[C@H](N(C)CCCOc2cccc(C#N)c2)C[C@@H]1C ZINC000357273755 266155650 /nfs/dbraw/zinc/15/56/50/266155650.db2.gz PCQDLUIAUZBMQP-WMZOPIPTSA-N 1 3 315.461 3.132 20 30 DGEDHO C[C@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(OCC#N)cc1 ZINC000192946378 432431963 /nfs/dbraw/zinc/43/19/63/432431963.db2.gz OBYLQYVDSJCYSG-KRWDZBQOSA-N 1 3 315.461 3.362 20 30 DGEDHO C=CCC[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccco1 ZINC000278983229 432924549 /nfs/dbraw/zinc/92/45/49/432924549.db2.gz POXUQMUXWXFVGB-IRXDYDNUSA-N 1 3 306.450 3.113 20 30 DGEDHO C=CCC[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccco1 ZINC000278983229 432924550 /nfs/dbraw/zinc/92/45/50/432924550.db2.gz POXUQMUXWXFVGB-IRXDYDNUSA-N 1 3 306.450 3.113 20 30 DGEDHO C=CCOc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298111806 433050104 /nfs/dbraw/zinc/05/01/04/433050104.db2.gz OIPHYOCWESQIBC-UHFFFAOYSA-N 1 3 323.440 3.405 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453376848 433133438 /nfs/dbraw/zinc/13/34/38/433133438.db2.gz YDBKYYQBNGHBLN-LZQZEXGQSA-N 1 3 318.461 3.011 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449549166 433751491 /nfs/dbraw/zinc/75/14/91/433751491.db2.gz VHOGFSZMSCRWKH-LULLPPNCSA-N 1 3 306.494 3.353 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449549166 433751502 /nfs/dbraw/zinc/75/15/02/433751502.db2.gz VHOGFSZMSCRWKH-LULLPPNCSA-N 1 3 306.494 3.353 20 30 DGEDHO C[NH+](C)Cc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000353382575 434095175 /nfs/dbraw/zinc/09/51/75/434095175.db2.gz HYBIPTGUKGQAGA-HXUWFJFHSA-N 1 3 305.425 3.397 20 30 DGEDHO CSC1(CN[C@H](C)c2ccc(C#N)cc2F)CC[NH+](C)CC1 ZINC000353627406 434286210 /nfs/dbraw/zinc/28/62/10/434286210.db2.gz KFSMJEKSSUBUIH-CYBMUJFWSA-N 1 3 321.465 3.175 20 30 DGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000651758565 435818958 /nfs/dbraw/zinc/81/89/58/435818958.db2.gz DZGSKHFUOKPLJR-NSISKUIASA-N 1 3 314.473 3.088 20 30 DGEDHO C=CC1CC[NH+](Cc2ccccc2N2CCN(CC)CC2)CC1 ZINC000353584626 526980064 /nfs/dbraw/zinc/98/00/64/526980064.db2.gz IUJNQRVCBIEOBE-UHFFFAOYSA-N 1 3 313.489 3.227 20 30 DGEDHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442708938 528151537 /nfs/dbraw/zinc/15/15/37/528151537.db2.gz MKWWQYMMTCKAFG-MSOLQXFVSA-N 1 3 315.461 3.189 20 30 DGEDHO CN(C)CCOc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449087394 535904898 /nfs/dbraw/zinc/90/48/98/535904898.db2.gz FOUQWOIHWHGNMJ-UHFFFAOYSA-N 1 3 315.461 3.189 20 30 DGEDHO CC[N@@H+]1CC[C@H](N(C)CCCOc2ccc(C#N)cc2)C[C@H]1C ZINC000740886357 574944920 /nfs/dbraw/zinc/94/49/20/574944920.db2.gz OCNXFHLLUVXCJM-AEFFLSMTSA-N 1 3 315.461 3.132 20 30 DGEDHO CC[N@H+]1CC[C@H](N(C)CCCOc2ccc(C#N)cc2)C[C@H]1C ZINC000740886357 574944921 /nfs/dbraw/zinc/94/49/21/574944921.db2.gz OCNXFHLLUVXCJM-AEFFLSMTSA-N 1 3 315.461 3.132 20 30 DGEDHO CSc1ccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925774004 618615061 /nfs/dbraw/zinc/61/50/61/618615061.db2.gz QUTOUBPDVIJJOK-HUUCEWRRSA-N 1 3 303.475 3.276 20 30 DGEDHO N#C[C@H]1CC[C@@H](N[C@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902394889 619630756 /nfs/dbraw/zinc/63/07/56/619630756.db2.gz XJCCVBNXVOYAIO-DXCKQFNASA-N 1 3 307.388 3.417 20 30 DGEDHO N#Cc1cc(Cl)cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000903453983 619779272 /nfs/dbraw/zinc/77/92/72/619779272.db2.gz QSSZZNCSBMYUEF-DLBZAZTESA-N 1 3 317.864 3.423 20 30 DGEDHO CN1C[C@@H](C[NH2+]Cc2csc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000922212767 621006390 /nfs/dbraw/zinc/00/63/90/621006390.db2.gz ULBAHPRPDVHXNB-AEFFLSMTSA-N 1 3 311.454 3.055 20 30 DGEDHO C[C@H](C#N)Oc1ccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000116378574 621225225 /nfs/dbraw/zinc/22/52/25/621225225.db2.gz FGJNJPKPUZXTLN-CRAIPNDOSA-N 1 3 317.477 3.433 20 30 DGEDHO C#CC[C@H](CCOC)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000862547393 621600103 /nfs/dbraw/zinc/60/01/03/621600103.db2.gz DPGJTRNWJHDDHF-YQVWRLOYSA-N 1 3 306.494 3.048 20 30 DGEDHO C#CC[C@H](CCOC)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000862547393 621600107 /nfs/dbraw/zinc/60/01/07/621600107.db2.gz DPGJTRNWJHDDHF-YQVWRLOYSA-N 1 3 306.494 3.048 20 30 DGEDHO C#CC[C@H](CCOC)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000862547912 621600348 /nfs/dbraw/zinc/60/03/48/621600348.db2.gz SVTRKWNHLUKNIL-LMMKCTJWSA-N 1 3 306.494 3.048 20 30 DGEDHO C#CC[C@H](CCOC)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000862547915 621600350 /nfs/dbraw/zinc/60/03/50/621600350.db2.gz SVTRKWNHLUKNIL-ZHALLVOQSA-N 1 3 306.494 3.048 20 30 DGEDHO C#CC[C@H](CCOC)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000862547914 621600587 /nfs/dbraw/zinc/60/05/87/621600587.db2.gz SVTRKWNHLUKNIL-YQVWRLOYSA-N 1 3 306.494 3.048 20 30 DGEDHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(C#N)o1 ZINC000757913228 621746425 /nfs/dbraw/zinc/74/64/25/621746425.db2.gz TUJYZUATLRLGNZ-UHFFFAOYSA-N 1 3 324.428 3.285 20 30 DGEDHO N#Cc1ccc(C2(NCc3cc4c(s3)CC[NH2+]C4)CCC2)cc1 ZINC000873213546 623077131 /nfs/dbraw/zinc/07/71/31/623077131.db2.gz HJXRMZRBIWLITR-UHFFFAOYSA-N 1 3 323.465 3.434 20 30 DGEDHO C#CCCCCCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000876791193 623706527 /nfs/dbraw/zinc/70/65/27/623706527.db2.gz GAHXYQCTJKOPTM-UHFFFAOYSA-N 1 3 319.537 3.061 20 30 DGEDHO C#CCCCCCCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000876791423 623706620 /nfs/dbraw/zinc/70/66/20/623706620.db2.gz FAKWVXPMCBSBTK-UHFFFAOYSA-N 1 3 319.537 3.061 20 30 DGEDHO C#Cc1ccc(CNCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000809604708 626924977 /nfs/dbraw/zinc/92/49/77/626924977.db2.gz YASJUMWOQMYPNS-UHFFFAOYSA-N 1 3 304.437 3.206 20 30 DGEDHO C#Cc1ccc(CNCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000809604708 626924978 /nfs/dbraw/zinc/92/49/78/626924978.db2.gz YASJUMWOQMYPNS-UHFFFAOYSA-N 1 3 304.437 3.206 20 30 DGEDHO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)c1 ZINC000925814698 627799288 /nfs/dbraw/zinc/79/92/88/627799288.db2.gz ONRNEHWWDQXZFB-IEBWSBKVSA-N 1 3 309.388 3.280 20 30 DGEDHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(OCC#N)cc1 ZINC000817967796 627979155 /nfs/dbraw/zinc/97/91/55/627979155.db2.gz BWBGEXKJRQSMNK-CQSZACIVSA-N 1 3 307.397 3.043 20 30 DGEDHO C=C(C)CON=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000844616565 630743666 /nfs/dbraw/zinc/74/36/66/630743666.db2.gz CJSFJTBQSVFVLU-UHFFFAOYSA-N 1 3 301.434 3.144 20 30 DGEDHO C#CCCOc1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000172112522 659317981 /nfs/dbraw/zinc/31/79/81/659317981.db2.gz WKZCKZRRIJISSA-UHFFFAOYSA-N 1 3 300.446 3.054 20 30 DGEDHO N#CC1(c2ccccc2)CC(NCc2cccc3c2CC[NH2+]C3)C1 ZINC001332396548 1178434691 /nfs/dbraw/zinc/43/46/91/1178434691.db2.gz QMKBAMGCEXIJCN-UHFFFAOYSA-N 1 3 317.436 3.046 20 30 DGEDHO C=CCC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001505920271 1186163287 /nfs/dbraw/zinc/16/32/87/1186163287.db2.gz JHNVYGZYZDSCDE-DLBZAZTESA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001505920271 1186163291 /nfs/dbraw/zinc/16/32/91/1186163291.db2.gz JHNVYGZYZDSCDE-DLBZAZTESA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001505920273 1186163885 /nfs/dbraw/zinc/16/38/85/1186163885.db2.gz JHNVYGZYZDSCDE-IRXDYDNUSA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001505920273 1186163888 /nfs/dbraw/zinc/16/38/88/1186163888.db2.gz JHNVYGZYZDSCDE-IRXDYDNUSA-N 1 3 323.525 3.042 20 30 DGEDHO CC(C)[C@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)N1CCCC1 ZINC000236672155 1202618660 /nfs/dbraw/zinc/61/86/60/1202618660.db2.gz XEOWYPCVEMXEHS-GPJFCIFZSA-N 1 3 311.473 3.320 20 30 DGEDHO N=C(Nc1ccc2c(c1)C[NH2+]C2)c1ccc2cc(O)ccc2c1 ZINC001171185197 1095661681 /nfs/dbraw/zinc/66/16/81/1095661681.db2.gz UAIBEHAAEFHGES-UHFFFAOYSA-N 1 3 303.365 3.186 20 30 DGEDHO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222610446 1095691898 /nfs/dbraw/zinc/69/18/98/1095691898.db2.gz YJUBMRVCSLLFNV-FQEVSTJZSA-N 1 3 317.436 3.056 20 30 DGEDHO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222610446 1095691906 /nfs/dbraw/zinc/69/19/06/1095691906.db2.gz YJUBMRVCSLLFNV-FQEVSTJZSA-N 1 3 317.436 3.056 20 30 DGEDHO C[C@@H](CCCC#N)N1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001172486242 1097152253 /nfs/dbraw/zinc/15/22/53/1097152253.db2.gz CNFFXRSTKGGKPW-HNNXBMFYSA-N 1 3 303.425 3.244 20 30 DGEDHO CCCCCCC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001229184889 1097272976 /nfs/dbraw/zinc/27/29/76/1097272976.db2.gz DOEVJKYIVLOMIM-KRWDZBQOSA-N 1 3 323.525 3.022 20 30 DGEDHO CN(CCC[NH3+])Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001235435719 1099033481 /nfs/dbraw/zinc/03/34/81/1099033481.db2.gz VTFKQSFDAXVRHN-UHFFFAOYSA-N 1 3 308.429 3.107 20 30 DGEDHO C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580456 1099150417 /nfs/dbraw/zinc/15/04/17/1099150417.db2.gz HHNRBQRQPGQFAY-ZWKOTPCHSA-N 1 3 323.525 3.092 20 30 DGEDHO C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1CC ZINC001180373049 1099400632 /nfs/dbraw/zinc/40/06/32/1099400632.db2.gz PCABWZWRGRKHJK-SFHVURJKSA-N 1 3 323.525 3.093 20 30 DGEDHO Cc1ccc(CN2CCC(CC3CC[NH2+]CC3)CC2)cc1C#N ZINC001236961763 1099891899 /nfs/dbraw/zinc/89/18/99/1099891899.db2.gz ONJWRYRMRPRCGW-UHFFFAOYSA-N 1 3 311.473 3.468 20 30 DGEDHO CCCCCCC[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201065966 1102474537 /nfs/dbraw/zinc/47/45/37/1102474537.db2.gz DFPFAPICVWTUMQ-UHFFFAOYSA-N 1 3 323.525 3.022 20 30 DGEDHO CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246084398 1104378302 /nfs/dbraw/zinc/37/83/02/1104378302.db2.gz RUZCWINETHBPCD-OKZBNKHCSA-N 1 3 316.505 3.414 20 30 DGEDHO CCCCCCCCCCN1CC2(CCN2CC[NH+](C)C)C1 ZINC001275133961 1104642022 /nfs/dbraw/zinc/64/20/22/1104642022.db2.gz ZHNHRQVSXBLFRY-UHFFFAOYSA-N 1 3 309.542 3.449 20 30 DGEDHO N#Cc1ccc(CC2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246809104 1104683745 /nfs/dbraw/zinc/68/37/45/1104683745.db2.gz FLYVBFYOAYMNHE-YOFSQIOKSA-N 1 3 309.457 3.096 20 30 DGEDHO CCCCCCCCCC[C@@H](C)N1CC(N2CC[NH2+]CC2)C1 ZINC001246893307 1104726254 /nfs/dbraw/zinc/72/62/54/1104726254.db2.gz JCOZSDAMNXOEOW-GOSISDBHSA-N 1 3 309.542 3.495 20 30 DGEDHO C=CC[N@H+](C1CCCCC1)C1CCC(N2CCOCC2)CC1 ZINC001256697052 1106470871 /nfs/dbraw/zinc/47/08/71/1106470871.db2.gz SGSZCGHFVDACET-UHFFFAOYSA-N 1 3 306.494 3.451 20 30 DGEDHO C=CC[N@@H+](C1CCCCC1)C1CCC(N2CCOCC2)CC1 ZINC001256697052 1106470875 /nfs/dbraw/zinc/47/08/75/1106470875.db2.gz SGSZCGHFVDACET-UHFFFAOYSA-N 1 3 306.494 3.451 20 30 DGEDHO CCCCCCC[C@H](C)[NH+]1CCC(N)(CC(=O)OCC)CC1 ZINC001258043810 1106663691 /nfs/dbraw/zinc/66/36/91/1106663691.db2.gz UBEOGTVBSZNVDZ-INIZCTEOSA-N 1 3 312.498 3.482 20 30 DGEDHO C=CCO[C@@H]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC001320208982 1106927900 /nfs/dbraw/zinc/92/79/00/1106927900.db2.gz OBODSWIQLKILSX-LJQANCHMSA-N 1 3 316.489 3.422 20 30 DGEDHO C=CCO[C@@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC001320208982 1106927910 /nfs/dbraw/zinc/92/79/10/1106927910.db2.gz OBODSWIQLKILSX-LJQANCHMSA-N 1 3 316.489 3.422 20 30 DGEDHO COc1ccc(CNCCCC[N@@H+]2CCCC[C@H]2C)cc1C#N ZINC000174272517 198313559 /nfs/dbraw/zinc/31/35/59/198313559.db2.gz HKGBPCOYYIAFGR-MRXNPFEDSA-N 1 3 315.461 3.311 20 30 DGEDHO COc1ccc(CNCCCC[N@H+]2CCCC[C@H]2C)cc1C#N ZINC000174272517 198313561 /nfs/dbraw/zinc/31/35/61/198313561.db2.gz HKGBPCOYYIAFGR-MRXNPFEDSA-N 1 3 315.461 3.311 20 30 DGEDHO COc1ccc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000174272638 198313715 /nfs/dbraw/zinc/31/37/15/198313715.db2.gz YONILRGRXWEKDK-MRXNPFEDSA-N 1 3 315.461 3.169 20 30 DGEDHO COc1ccc(CNCCCC[N@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000174272638 198313717 /nfs/dbraw/zinc/31/37/17/198313717.db2.gz YONILRGRXWEKDK-MRXNPFEDSA-N 1 3 315.461 3.169 20 30 DGEDHO C=CCCCC[C@H](C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000449230725 240079820 /nfs/dbraw/zinc/07/98/20/240079820.db2.gz BGMXZINDQLJTLH-FXAWDEMLSA-N 1 3 316.489 3.478 20 30 DGEDHO CCC[NH+]1CCC(N(C)CCCOc2cccc(C#N)c2)CC1 ZINC000156634922 197128721 /nfs/dbraw/zinc/12/87/21/197128721.db2.gz NHIVEAJMGDYPMS-UHFFFAOYSA-N 1 3 315.461 3.133 20 30 DGEDHO C[C@@H](NCC1CC[NH+](CC2CC2)CC1)c1ccc(C#N)cc1F ZINC000595104218 400107792 /nfs/dbraw/zinc/10/77/92/400107792.db2.gz QVYRURFGBLLUEW-CQSZACIVSA-N 1 3 315.436 3.470 20 30 DGEDHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000595505750 400172265 /nfs/dbraw/zinc/17/22/65/400172265.db2.gz XTRTYYFSYKRMMI-HXUWFJFHSA-N 1 3 311.473 3.405 20 30 DGEDHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000595505750 400172268 /nfs/dbraw/zinc/17/22/68/400172268.db2.gz XTRTYYFSYKRMMI-HXUWFJFHSA-N 1 3 311.473 3.405 20 30 DGEDHO C=CCCSCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000596649723 400472111 /nfs/dbraw/zinc/47/21/11/400472111.db2.gz GFHWZRDZQYFXHJ-WMZOPIPTSA-N 1 3 318.486 3.141 20 30 DGEDHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc(C#N)cc1F ZINC000269463154 432177024 /nfs/dbraw/zinc/17/70/24/432177024.db2.gz YPLMOKUEILSHGF-HNNXBMFYSA-N 1 3 303.425 3.442 20 30 DGEDHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc(C#N)cc1F ZINC000269463154 432177027 /nfs/dbraw/zinc/17/70/27/432177027.db2.gz YPLMOKUEILSHGF-HNNXBMFYSA-N 1 3 303.425 3.442 20 30 DGEDHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc(C#N)cc1F ZINC000269463156 432176168 /nfs/dbraw/zinc/17/61/68/432176168.db2.gz YPLMOKUEILSHGF-OAHLLOKOSA-N 1 3 303.425 3.442 20 30 DGEDHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc(C#N)cc1F ZINC000269463156 432176172 /nfs/dbraw/zinc/17/61/72/432176172.db2.gz YPLMOKUEILSHGF-OAHLLOKOSA-N 1 3 303.425 3.442 20 30 DGEDHO C#CCCCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000151166489 432225670 /nfs/dbraw/zinc/22/56/70/432225670.db2.gz UTXUKPWQXXTQMP-UHFFFAOYSA-N 1 3 313.489 3.110 20 30 DGEDHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185813416 228398073 /nfs/dbraw/zinc/39/80/73/228398073.db2.gz CSCKMAYEAYLHDJ-MSOLQXFVSA-N 1 3 315.461 3.189 20 30 DGEDHO N#Cc1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000403998715 268074194 /nfs/dbraw/zinc/07/41/94/268074194.db2.gz GYLFMDRQDZEXKK-GOSISDBHSA-N 1 3 323.415 3.309 20 30 DGEDHO CN(CCCSCC#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000074991911 431448792 /nfs/dbraw/zinc/44/87/92/431448792.db2.gz HEODMGLIJKXJDN-GOSISDBHSA-N 1 3 317.502 3.087 20 30 DGEDHO CN(CCCSCC#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000074991911 431448800 /nfs/dbraw/zinc/44/88/00/431448800.db2.gz HEODMGLIJKXJDN-GOSISDBHSA-N 1 3 317.502 3.087 20 30 DGEDHO C=CCC[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CC1 ZINC000248455504 432294946 /nfs/dbraw/zinc/29/49/46/432294946.db2.gz RMQPABDFCNTDRO-UXHICEINSA-N 1 3 314.473 3.088 20 30 DGEDHO CN(C)CCOc1ccc(CC[NH2+]CC(C)(C)CCC#N)cc1 ZINC000266214491 432756325 /nfs/dbraw/zinc/75/63/25/432756325.db2.gz PJPDSBMOKUIOOE-UHFFFAOYSA-N 1 3 317.477 3.089 20 30 DGEDHO N#Cc1ccccc1CSCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178954224 432791070 /nfs/dbraw/zinc/79/10/70/432791070.db2.gz VOLZRZNIVBDEOF-ZWKOTPCHSA-N 1 3 315.486 3.008 20 30 DGEDHO N#Cc1ccccc1CSCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000178954224 432791075 /nfs/dbraw/zinc/79/10/75/432791075.db2.gz VOLZRZNIVBDEOF-ZWKOTPCHSA-N 1 3 315.486 3.008 20 30 DGEDHO CC[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000278875681 432911494 /nfs/dbraw/zinc/91/14/94/432911494.db2.gz XLUCFYMIRJGQRJ-QFBILLFUSA-N 1 3 315.461 3.100 20 30 DGEDHO CC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000278875681 432911497 /nfs/dbraw/zinc/91/14/97/432911497.db2.gz XLUCFYMIRJGQRJ-QFBILLFUSA-N 1 3 315.461 3.100 20 30 DGEDHO C[C@H](NCC(C)(C)CC#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000414162142 433433125 /nfs/dbraw/zinc/43/31/25/433433125.db2.gz GMLJQHAVBJILCZ-HNNXBMFYSA-N 1 3 303.450 3.217 20 30 DGEDHO CCCCCCCCCN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000375463031 433470145 /nfs/dbraw/zinc/47/01/45/433470145.db2.gz XIHQRJXJVQLQCG-IBGZPJMESA-N 1 3 309.542 3.449 20 30 DGEDHO CCCCCCCCCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000375463031 433470150 /nfs/dbraw/zinc/47/01/50/433470150.db2.gz XIHQRJXJVQLQCG-IBGZPJMESA-N 1 3 309.542 3.449 20 30 DGEDHO CC(C)CCNC(=[NH2+])NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000304809934 434019263 /nfs/dbraw/zinc/01/92/63/434019263.db2.gz VZTMGQOKXPTGEO-GDBMZVCRSA-N 1 3 322.522 3.081 20 30 DGEDHO CC(C)(C#N)CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310028020 434106251 /nfs/dbraw/zinc/10/62/51/434106251.db2.gz WIDCBUKULXYQSG-RBUKOAKNSA-N 1 3 311.473 3.380 20 30 DGEDHO CC(C)(C#N)CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310028020 434106257 /nfs/dbraw/zinc/10/62/57/434106257.db2.gz WIDCBUKULXYQSG-RBUKOAKNSA-N 1 3 311.473 3.380 20 30 DGEDHO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000424321629 434697677 /nfs/dbraw/zinc/69/76/77/434697677.db2.gz HIFBTVAIJWBIBD-OUUBHVDSSA-N 1 3 309.457 3.179 20 30 DGEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000424321629 434697683 /nfs/dbraw/zinc/69/76/83/434697683.db2.gz HIFBTVAIJWBIBD-OUUBHVDSSA-N 1 3 309.457 3.179 20 30 DGEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000424321629 434697687 /nfs/dbraw/zinc/69/76/87/434697687.db2.gz HIFBTVAIJWBIBD-OUUBHVDSSA-N 1 3 309.457 3.179 20 30 DGEDHO CC(C)(CC#N)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000459734025 434685057 /nfs/dbraw/zinc/68/50/57/434685057.db2.gz RGDRFIVQOGSMLB-CEXWTWQISA-N 1 3 311.473 3.426 20 30 DGEDHO CC(C)(CC#N)CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000459734025 434685063 /nfs/dbraw/zinc/68/50/63/434685063.db2.gz RGDRFIVQOGSMLB-CEXWTWQISA-N 1 3 311.473 3.426 20 30 DGEDHO CC(C)(CC#N)CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000459734025 434685070 /nfs/dbraw/zinc/68/50/70/434685070.db2.gz RGDRFIVQOGSMLB-CEXWTWQISA-N 1 3 311.473 3.426 20 30 DGEDHO C[C@H]1CN(CC2CC[NH+](CC(C)(C)CCC#N)CC2)C[C@H](C)O1 ZINC000092587612 337906707 /nfs/dbraw/zinc/90/67/07/337906707.db2.gz JYXAZAPPCFIEGM-IRXDYDNUSA-N 1 3 321.509 3.138 20 30 DGEDHO CCCCN1CCC([NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000158470356 528462499 /nfs/dbraw/zinc/46/24/99/528462499.db2.gz JJAOXFXKBYGQLQ-UHFFFAOYSA-N 1 3 311.473 3.464 20 30 DGEDHO C=CCC[C@@H](O)CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000685412696 549755861 /nfs/dbraw/zinc/75/58/61/549755861.db2.gz YSXHLVGOHMHQAY-DLBZAZTESA-N 1 3 322.518 3.137 20 30 DGEDHO C=CCC[C@@H](O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000685412696 549755863 /nfs/dbraw/zinc/75/58/63/549755863.db2.gz YSXHLVGOHMHQAY-DLBZAZTESA-N 1 3 322.518 3.137 20 30 DGEDHO C=C(C)CN(Cc1cnn(C(C)C)c1)CC1CC[NH+](C)CC1 ZINC000894417386 618320669 /nfs/dbraw/zinc/32/06/69/618320669.db2.gz LWJMMNJAKGPCLQ-UHFFFAOYSA-N 1 3 304.482 3.184 20 30 DGEDHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1cc(C#N)ccn1 ZINC000902747711 619669398 /nfs/dbraw/zinc/66/93/98/619669398.db2.gz HMCXERMICNUXQZ-INIZCTEOSA-N 1 3 300.450 3.116 20 30 DGEDHO C[C@H]1CC2(CN1Cc1cc(Cl)cc(C#N)c1)CC[NH2+]CC2 ZINC000903460113 619776996 /nfs/dbraw/zinc/77/69/96/619776996.db2.gz XLDIGODRWUPJPR-ZDUSSCGKSA-N 1 3 303.837 3.176 20 30 DGEDHO CN(Cc1ccc(CC#N)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213692 621261208 /nfs/dbraw/zinc/26/12/08/621261208.db2.gz ZIQAIPAATJSQDG-UHFFFAOYSA-N 1 3 307.441 3.446 20 30 DGEDHO C=CCC[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@@H]1CCCO1 ZINC000883237961 626619710 /nfs/dbraw/zinc/61/97/10/626619710.db2.gz OMCXEYPBKMUFSH-FHWLQOOXSA-N 1 3 306.494 3.212 20 30 DGEDHO CSc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1C#N ZINC000886689867 627191112 /nfs/dbraw/zinc/19/11/12/627191112.db2.gz JFIFDMLMIOAKFH-ZACQAIPSSA-N 1 3 315.486 3.243 20 30 DGEDHO CSc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1C#N ZINC000886689867 627191113 /nfs/dbraw/zinc/19/11/13/627191113.db2.gz JFIFDMLMIOAKFH-ZACQAIPSSA-N 1 3 315.486 3.243 20 30 DGEDHO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000924937566 627695836 /nfs/dbraw/zinc/69/58/36/627695836.db2.gz DOWLVXDIPLOFHD-HKUYNNGSSA-N 1 3 313.489 3.469 20 30 DGEDHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000817961718 627976850 /nfs/dbraw/zinc/97/68/50/627976850.db2.gz ATDDFUFCJRDVHS-HUUCEWRRSA-N 1 3 309.413 3.459 20 30 DGEDHO C#CC[C@@H]1CCCN(CC[C@@H](C)[N@@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829805897 629195167 /nfs/dbraw/zinc/19/51/67/629195167.db2.gz XMJKZYUGGNCIAL-VAMGGRTRSA-N 1 3 300.490 3.236 20 30 DGEDHO C#CC[C@@H]1CCCN(CC[C@@H](C)[N@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829805897 629195171 /nfs/dbraw/zinc/19/51/71/629195171.db2.gz XMJKZYUGGNCIAL-VAMGGRTRSA-N 1 3 300.490 3.236 20 30 DGEDHO CC[C@@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)N1CCCC1 ZINC000304708738 657644302 /nfs/dbraw/zinc/64/43/02/657644302.db2.gz XTBNRLLHWMKSMT-INIZCTEOSA-N 1 3 314.477 3.166 20 30 DGEDHO COc1ccc([C@H](C[NH3+])CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC001579194420 1191969002 /nfs/dbraw/zinc/96/90/02/1191969002.db2.gz MZYCIGVTQZSMOW-DNVCBOLYSA-N 1 3 323.440 3.302 20 30 DGEDHO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)cc1Cl ZINC001461831400 1182864889 /nfs/dbraw/zinc/86/48/89/1182864889.db2.gz STLXIRUHMZOBSX-BFYDXBDKSA-N 1 3 320.864 3.335 20 30 DGEDHO C=C(C)C[N@@H+](CCNC(=O)CN(C)C(C)C)C1CCCCCC1 ZINC001723640484 1203986566 /nfs/dbraw/zinc/98/65/66/1203986566.db2.gz OFKSKUXSIFQCKN-UHFFFAOYSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)C[N@H+](CCNC(=O)CN(C)C(C)C)C1CCCCCC1 ZINC001723640484 1203986567 /nfs/dbraw/zinc/98/65/67/1203986567.db2.gz OFKSKUXSIFQCKN-UHFFFAOYSA-N 1 3 323.525 3.044 20 30 DGEDHO CC(=NCc1cccc(C[NH3+])c1)Nc1cc(N2CCCC2)ccn1 ZINC001163471894 1090194249 /nfs/dbraw/zinc/19/42/49/1090194249.db2.gz MHMZXYJMWMZJOJ-UHFFFAOYSA-N 1 3 323.444 3.171 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001340106898 1095865904 /nfs/dbraw/zinc/86/59/04/1095865904.db2.gz WOVMFPBWTBPXAS-ROUUACIJSA-N 1 3 323.525 3.009 20 30 DGEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001175574559 1098101349 /nfs/dbraw/zinc/10/13/49/1098101349.db2.gz XZYAQNWEAIIMKO-ZWKOTPCHSA-N 1 3 323.525 3.090 20 30 DGEDHO N#Cc1ccc2cc(CN3CCC([C@@H]4CCCC[NH2+]4)CC3)[nH]c2c1 ZINC001235239847 1098914634 /nfs/dbraw/zinc/91/46/34/1098914634.db2.gz JFZSQPDYIABHSZ-IBGZPJMESA-N 1 3 322.456 3.394 20 30 DGEDHO N#Cc1ccc(Cl)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235426754 1099019147 /nfs/dbraw/zinc/01/91/47/1099019147.db2.gz LDAWFQXWTDCDOJ-HZPDHXFCSA-N 1 3 317.864 3.423 20 30 DGEDHO CCCCCCCCCN1CCN(C2(C)CC[NH2+]CC2)CC1 ZINC001235814136 1099192627 /nfs/dbraw/zinc/19/26/27/1099192627.db2.gz AJPAJAIZZOFBNY-UHFFFAOYSA-N 1 3 309.542 3.497 20 30 DGEDHO C[NH+](C)CCCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC001204268984 1099413102 /nfs/dbraw/zinc/41/31/02/1099413102.db2.gz RLIYYSSNSNNQCQ-QGZVFWFLSA-N 1 3 315.461 3.143 20 30 DGEDHO N#Cc1cc(F)cc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374034 1099560926 /nfs/dbraw/zinc/56/09/26/1099560926.db2.gz OHGHCLCNHILQBN-HNNXBMFYSA-N 1 3 315.436 3.442 20 30 DGEDHO C#CCOc1ccc(CN(CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001236458071 1099623165 /nfs/dbraw/zinc/62/31/65/1099623165.db2.gz QVQPLSMJYDOOTP-UHFFFAOYSA-N 1 3 314.473 3.299 20 30 DGEDHO C#CCOc1ccc(C[N@@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001236458071 1099623151 /nfs/dbraw/zinc/62/31/51/1099623151.db2.gz QVQPLSMJYDOOTP-UHFFFAOYSA-N 1 3 314.473 3.299 20 30 DGEDHO C#CCOc1ccc(C[N@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001236458071 1099623158 /nfs/dbraw/zinc/62/31/58/1099623158.db2.gz QVQPLSMJYDOOTP-UHFFFAOYSA-N 1 3 314.473 3.299 20 30 DGEDHO C[C@@H]1CC[C@H](CNC2CCC(C#N)(c3ccccc3)CC2)[NH2+]C1 ZINC001246104088 1104388776 /nfs/dbraw/zinc/38/87/76/1104388776.db2.gz JETJEPCXTFBBDH-IHJVYAAUSA-N 1 3 311.473 3.368 20 30 DGEDHO CC[C@H]1C[C@@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CCN1 ZINC001246811810 1104685297 /nfs/dbraw/zinc/68/52/97/1104685297.db2.gz RIKCVQZKSQEJGV-PMACEKPBSA-N 1 3 311.473 3.343 20 30 DGEDHO CC[C@H]1C[C@@H](N2CCC(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246811810 1104685300 /nfs/dbraw/zinc/68/53/00/1104685300.db2.gz RIKCVQZKSQEJGV-PMACEKPBSA-N 1 3 311.473 3.343 20 30 DGEDHO CCCCCCC[C@@H](C)[NH+]1CCC(N)(CC(=O)OCC)CC1 ZINC001258043811 1106663685 /nfs/dbraw/zinc/66/36/85/1106663685.db2.gz UBEOGTVBSZNVDZ-MRXNPFEDSA-N 1 3 312.498 3.482 20 30 DGEDHO C=CCCOCCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272727848 210132913 /nfs/dbraw/zinc/13/29/13/210132913.db2.gz GNWANZLGKPYIHM-MJGOQNOKSA-N 1 3 302.462 3.079 20 30 DGEDHO C=CCCOCCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272727848 210132919 /nfs/dbraw/zinc/13/29/19/210132919.db2.gz GNWANZLGKPYIHM-MJGOQNOKSA-N 1 3 302.462 3.079 20 30 DGEDHO C[C@@H](CC1(C#N)CCOCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000602570614 400499148 /nfs/dbraw/zinc/49/91/48/400499148.db2.gz UFWGXGZMDPQTNR-INIZCTEOSA-N 1 3 319.493 3.082 20 30 DGEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000602570614 400499155 /nfs/dbraw/zinc/49/91/55/400499155.db2.gz UFWGXGZMDPQTNR-INIZCTEOSA-N 1 3 319.493 3.082 20 30 DGEDHO C[C@@H](CC1(C#N)CCOCC1)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000602526767 400488269 /nfs/dbraw/zinc/48/82/69/400488269.db2.gz MBUPGSXWLKVAEK-SJORKVTESA-N 1 3 321.509 3.185 20 30 DGEDHO C[C@@H](CC1(C#N)CCOCC1)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000602526767 400488275 /nfs/dbraw/zinc/48/82/75/400488275.db2.gz MBUPGSXWLKVAEK-SJORKVTESA-N 1 3 321.509 3.185 20 30 DGEDHO C[C@@H](CC1(C#N)CCOCC1)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000602526764 400488378 /nfs/dbraw/zinc/48/83/78/400488378.db2.gz MBUPGSXWLKVAEK-IRXDYDNUSA-N 1 3 321.509 3.185 20 30 DGEDHO C[C@@H](CC1(C#N)CCOCC1)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000602526764 400488385 /nfs/dbraw/zinc/48/83/85/400488385.db2.gz MBUPGSXWLKVAEK-IRXDYDNUSA-N 1 3 321.509 3.185 20 30 DGEDHO N#Cc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000594954135 401205558 /nfs/dbraw/zinc/20/55/58/401205558.db2.gz BZRPPOJPFGVYHF-UHFFFAOYSA-N 1 3 311.473 3.487 20 30 DGEDHO N#Cc1ccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000594954135 401205563 /nfs/dbraw/zinc/20/55/63/401205563.db2.gz BZRPPOJPFGVYHF-UHFFFAOYSA-N 1 3 311.473 3.487 20 30 DGEDHO N#Cc1ccccc1CSCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178954211 432790534 /nfs/dbraw/zinc/79/05/34/432790534.db2.gz VOLZRZNIVBDEOF-QZTJIDSGSA-N 1 3 315.486 3.008 20 30 DGEDHO N#Cc1ccccc1CSCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000178954211 432790537 /nfs/dbraw/zinc/79/05/37/432790537.db2.gz VOLZRZNIVBDEOF-QZTJIDSGSA-N 1 3 315.486 3.008 20 30 DGEDHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(C#N)c(F)c1 ZINC000355051364 433439655 /nfs/dbraw/zinc/43/96/55/433439655.db2.gz BOQHINGNLJEWNJ-CQSZACIVSA-N 1 3 303.425 3.470 20 30 DGEDHO C=CCN(CC=C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000422835656 434039783 /nfs/dbraw/zinc/03/97/83/434039783.db2.gz PUKMGTDALSBYQZ-UAFMIMERSA-N 1 3 319.537 3.195 20 30 DGEDHO CC(C)(C#N)CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310028015 434110108 /nfs/dbraw/zinc/11/01/08/434110108.db2.gz WIDCBUKULXYQSG-OALUTQOASA-N 1 3 311.473 3.380 20 30 DGEDHO CC(C)(C#N)CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310028015 434110113 /nfs/dbraw/zinc/11/01/13/434110113.db2.gz WIDCBUKULXYQSG-OALUTQOASA-N 1 3 311.473 3.380 20 30 DGEDHO C[NH+]1CCC2(CCCN(Cc3ccc(C#N)cc3F)C2)CC1 ZINC000369721328 434598411 /nfs/dbraw/zinc/59/84/11/434598411.db2.gz MRPDMGPJKIFFAT-UHFFFAOYSA-N 1 3 301.409 3.005 20 30 DGEDHO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000530221295 435043878 /nfs/dbraw/zinc/04/38/78/435043878.db2.gz PHPISJKPHVFPEU-JLAWEPINSA-N 1 3 309.457 3.265 20 30 DGEDHO C=CC[C@@H]1CC[C@H](NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000651812712 435835299 /nfs/dbraw/zinc/83/52/99/435835299.db2.gz IXCWWJPDUFHYSK-AEFFLSMTSA-N 1 3 317.477 3.247 20 30 DGEDHO C=CCC[C@H](C)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC000665259806 435932300 /nfs/dbraw/zinc/93/23/00/435932300.db2.gz QOUBPUZPBDFEJC-QRTARXTBSA-N 1 3 306.425 3.224 20 30 DGEDHO C=CC[C@H](C)[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167427 436393364 /nfs/dbraw/zinc/39/33/64/436393364.db2.gz SDUIHROAIRXZGT-IRXDYDNUSA-N 1 3 301.478 3.484 20 30 DGEDHO N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000185813639 534748598 /nfs/dbraw/zinc/74/85/98/534748598.db2.gz CIJRAPWBNYJETD-SLFFLAALSA-N 1 3 311.473 3.223 20 30 DGEDHO N#C[C@H]1CCC[C@@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000185813639 534748602 /nfs/dbraw/zinc/74/86/02/534748602.db2.gz CIJRAPWBNYJETD-SLFFLAALSA-N 1 3 311.473 3.223 20 30 DGEDHO N#C[C@H]1CCC[C@@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000185813639 534748605 /nfs/dbraw/zinc/74/86/05/534748605.db2.gz CIJRAPWBNYJETD-SLFFLAALSA-N 1 3 311.473 3.223 20 30 DGEDHO C=CCOc1ccc(CN2CCC3(CC[NH2+]C3)CC2)cc1Cl ZINC000430936438 526865584 /nfs/dbraw/zinc/86/55/84/526865584.db2.gz YNICFSAWDQLTJK-UHFFFAOYSA-N 1 3 320.864 3.480 20 30 DGEDHO C=CCOc1cccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000347020980 526898640 /nfs/dbraw/zinc/89/86/40/526898640.db2.gz NLQXFKVCKPHCQT-LJQANCHMSA-N 1 3 300.446 3.215 20 30 DGEDHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442713370 528155068 /nfs/dbraw/zinc/15/50/68/528155068.db2.gz WJVQJRWOWXWPQI-FUHWJXTLSA-N 1 3 315.461 3.189 20 30 DGEDHO CC[C@H](C#N)Oc1cccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925619154 618510947 /nfs/dbraw/zinc/51/09/47/618510947.db2.gz LCOLRAOWBFTLLD-IXDOHACOSA-N 1 3 315.461 3.363 20 30 DGEDHO CSc1ccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925773996 618615067 /nfs/dbraw/zinc/61/50/67/618615067.db2.gz QUTOUBPDVIJJOK-GJZGRUSLSA-N 1 3 303.475 3.276 20 30 DGEDHO N#CCC1(CN[C@@H](CCCC[NH3+])c2ccc(F)cc2F)CC1 ZINC000902385159 619629167 /nfs/dbraw/zinc/62/91/67/619629167.db2.gz YDTTUIGWTFVPHB-INIZCTEOSA-N 1 3 307.388 3.418 20 30 DGEDHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902746880 619669387 /nfs/dbraw/zinc/66/93/87/619669387.db2.gz ADOBGPCGKBAAGH-BRWVUGGUSA-N 1 3 314.477 3.362 20 30 DGEDHO C[C@@H]1CC2(CN1Cc1cc(Cl)cc(C#N)c1)CC[NH2+]CC2 ZINC000903460112 619777005 /nfs/dbraw/zinc/77/70/05/619777005.db2.gz XLDIGODRWUPJPR-CYBMUJFWSA-N 1 3 303.837 3.176 20 30 DGEDHO C#CC[C@H](CCOC)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000862547391 621599930 /nfs/dbraw/zinc/59/99/30/621599930.db2.gz DPGJTRNWJHDDHF-LMMKCTJWSA-N 1 3 306.494 3.048 20 30 DGEDHO C#CC[C@H](CCOC)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000862547391 621599933 /nfs/dbraw/zinc/59/99/33/621599933.db2.gz DPGJTRNWJHDDHF-LMMKCTJWSA-N 1 3 306.494 3.048 20 30 DGEDHO N#Cc1ccc2c(c1)C[C@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000865846933 622006593 /nfs/dbraw/zinc/00/65/93/622006593.db2.gz BGLKTIHZWQFFTF-HXUWFJFHSA-N 1 3 323.484 3.412 20 30 DGEDHO N#Cc1ccc2c(c1)C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000865846933 622006594 /nfs/dbraw/zinc/00/65/94/622006594.db2.gz BGLKTIHZWQFFTF-HXUWFJFHSA-N 1 3 323.484 3.412 20 30 DGEDHO N#Cc1ccc(CN2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC000872155983 622836563 /nfs/dbraw/zinc/83/65/63/622836563.db2.gz BXDBSGAMXKHWMM-KBXCAEBGSA-N 1 3 301.434 3.271 20 30 DGEDHO C#CCOc1ccc([C@H](C)NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000873236785 623086996 /nfs/dbraw/zinc/08/69/96/623086996.db2.gz DXNFHEJLHFVLTI-INIZCTEOSA-N 1 3 320.436 3.195 20 30 DGEDHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000873244245 623089553 /nfs/dbraw/zinc/08/95/53/623089553.db2.gz KORXFSXIPJGGPE-HOCLYGCPSA-N 1 3 301.434 3.018 20 30 DGEDHO C#Cc1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000809615274 626926705 /nfs/dbraw/zinc/92/67/05/626926705.db2.gz XQKZDMWVIAGMHQ-QFIPXVFZSA-N 1 3 318.464 3.322 20 30 DGEDHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000104181560 627412686 /nfs/dbraw/zinc/41/26/86/627412686.db2.gz OQDTZQWAMGPMJA-MRXNPFEDSA-N 1 3 318.465 3.076 20 30 DGEDHO COc1cc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)ccc1C#N ZINC000926449529 627897249 /nfs/dbraw/zinc/89/72/49/627897249.db2.gz OZCXNQCKLNIXMH-OAHLLOKOSA-N 1 3 323.440 3.479 20 30 DGEDHO C=CCc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])cc(OC)c1OC ZINC000817909361 627959386 /nfs/dbraw/zinc/95/93/86/627959386.db2.gz OKWUFBKXJKBAOY-IRXDYDNUSA-N 1 3 318.461 3.039 20 30 DGEDHO C=CCOc1ccc(CN2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000261982874 657271418 /nfs/dbraw/zinc/27/14/18/657271418.db2.gz JJRLZCAOWWNWRE-UHFFFAOYSA-N 1 3 320.864 3.480 20 30 DGEDHO CCc1cccc(NC(=[NH2+])NCC(C)(C)N2CCCCC2)c1 ZINC000303787791 657563371 /nfs/dbraw/zinc/56/33/71/657563371.db2.gz SUYHKXTVZIWRSB-UHFFFAOYSA-N 1 3 302.466 3.240 20 30 DGEDHO CCc1cccc(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@H]2C)c1 ZINC000303886660 657571596 /nfs/dbraw/zinc/57/15/96/657571596.db2.gz KLWXKCYSGVXWNE-HUUCEWRRSA-N 1 3 302.466 3.239 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCC[C@H](C)C2)cc1C ZINC000303908867 657578884 /nfs/dbraw/zinc/57/88/84/657578884.db2.gz XVUJUQYTNBXTOH-XJKSGUPXSA-N 1 3 302.466 3.150 20 30 DGEDHO CCc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@H]2C)cc1 ZINC000303911932 657698998 /nfs/dbraw/zinc/69/89/98/657698998.db2.gz ZXZMIDVGCZMKGO-HUUCEWRRSA-N 1 3 302.466 3.239 20 30 DGEDHO C#CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000175010985 659914936 /nfs/dbraw/zinc/91/49/36/659914936.db2.gz YSVVVPXODQADDD-QZTJIDSGSA-N 1 3 300.446 3.051 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001341634615 1179041082 /nfs/dbraw/zinc/04/10/82/1179041082.db2.gz QSFBGKXKDVDNIW-ZWKOTPCHSA-N 1 3 323.525 3.055 20 30 DGEDHO C=C[C@H](COC)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001354245443 1180755435 /nfs/dbraw/zinc/75/54/35/1180755435.db2.gz ZMYSOTYJYFOIEW-XUBOLADHSA-N 1 3 314.473 3.363 20 30 DGEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC001660468520 1196486884 /nfs/dbraw/zinc/48/68/84/1196486884.db2.gz ZVRWBWNNNSXZDC-BTHPGYMESA-N 1 3 311.473 3.426 20 30 DGEDHO CCCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001733860758 1205233980 /nfs/dbraw/zinc/23/39/80/1205233980.db2.gz YKPBMZWDYNPOFJ-KRWDZBQOSA-N 1 3 323.525 3.022 20 30 DGEDHO N#Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167964715 1085834637 /nfs/dbraw/zinc/83/46/37/1085834637.db2.gz WSECAKFBBQMQCS-IHWFROFDSA-N 1 3 309.457 3.096 20 30 DGEDHO N#Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167964715 1085834651 /nfs/dbraw/zinc/83/46/51/1085834651.db2.gz WSECAKFBBQMQCS-IHWFROFDSA-N 1 3 309.457 3.096 20 30 DGEDHO C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001155612420 1089186067 /nfs/dbraw/zinc/18/60/67/1089186067.db2.gz UNZPWONEYVUUFN-MSOLQXFVSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001155612420 1089186074 /nfs/dbraw/zinc/18/60/74/1089186074.db2.gz UNZPWONEYVUUFN-MSOLQXFVSA-N 1 3 323.525 3.044 20 30 DGEDHO CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001156623568 1089614845 /nfs/dbraw/zinc/61/48/45/1089614845.db2.gz LEOWYKPJVAYKDV-OAHLLOKOSA-N 1 3 322.497 3.058 20 30 DGEDHO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001156623568 1089614850 /nfs/dbraw/zinc/61/48/50/1089614850.db2.gz LEOWYKPJVAYKDV-OAHLLOKOSA-N 1 3 322.497 3.058 20 30 DGEDHO C=CCCCCN1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001209200427 1092692044 /nfs/dbraw/zinc/69/20/44/1092692044.db2.gz JEXGPZHTWSPWTC-KRWDZBQOSA-N 1 3 322.493 3.082 20 30 DGEDHO C=CCCCCN1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001209200427 1092692046 /nfs/dbraw/zinc/69/20/46/1092692046.db2.gz JEXGPZHTWSPWTC-KRWDZBQOSA-N 1 3 322.493 3.082 20 30 DGEDHO C=CCCCCN1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001209207675 1092695120 /nfs/dbraw/zinc/69/51/20/1092695120.db2.gz BJRUFADMJZOTRW-UHFFFAOYSA-N 1 3 309.542 3.472 20 30 DGEDHO CCCCCCC[C@H](CCC)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246088076 1095003965 /nfs/dbraw/zinc/00/39/65/1095003965.db2.gz INMSYDDPHUSTDZ-YESZJQIVSA-N 1 3 302.478 3.168 20 30 DGEDHO CCCCCCCCN1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222215965 1095496418 /nfs/dbraw/zinc/49/64/18/1095496418.db2.gz QDMPCLRWGMPGMH-KRWDZBQOSA-N 1 3 324.509 3.354 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340982093 1096085502 /nfs/dbraw/zinc/08/55/02/1096085502.db2.gz DTMSVBZBQDVATD-INIZCTEOSA-N 1 3 303.450 3.306 20 30 DGEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001172297424 1097108954 /nfs/dbraw/zinc/10/89/54/1097108954.db2.gz PIPQNZZJDPIUQR-INIZCTEOSA-N 1 3 311.473 3.486 20 30 DGEDHO C=CCOC1CCC([NH2+]CCCN2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001173311713 1097407933 /nfs/dbraw/zinc/40/79/33/1097407933.db2.gz OMVUDWCEFSSSTG-YXWAVELNSA-N 1 3 308.510 3.458 20 30 DGEDHO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284594 1097468805 /nfs/dbraw/zinc/46/88/05/1097468805.db2.gz MMDMLMSRXLHZNV-QZTJIDSGSA-N 1 3 323.525 3.090 20 30 DGEDHO CCCCCCCC[N@H+](C1CCNCC1)C1CCN(C)CC1 ZINC001237037145 1099935998 /nfs/dbraw/zinc/93/59/98/1099935998.db2.gz GHRFCURFMHPIET-UHFFFAOYSA-N 1 3 309.542 3.495 20 30 DGEDHO CCCCCCCC[N@@H+](C1CCNCC1)C1CCN(C)CC1 ZINC001237037145 1099936006 /nfs/dbraw/zinc/93/60/06/1099936006.db2.gz GHRFCURFMHPIET-UHFFFAOYSA-N 1 3 309.542 3.495 20 30 DGEDHO CCCCCCCCCCOC(=O)NCCC[NH2+]CCCN ZINC001239325429 1100633805 /nfs/dbraw/zinc/63/38/05/1100633805.db2.gz OHXHULGSWCVBQN-UHFFFAOYSA-N 1 3 315.502 3.182 20 30 DGEDHO C[C@H]1CC(=O)C=C(c2ccc(CN3CCC(C[NH3+])CC3)cc2)C1 ZINC001242745629 1102323037 /nfs/dbraw/zinc/32/30/37/1102323037.db2.gz VCYMRDHDGKJKKG-OAHLLOKOSA-N 1 3 312.457 3.240 20 30 DGEDHO CCCCCCCCCC[C@@H](O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001252985828 1105865572 /nfs/dbraw/zinc/86/55/72/1105865572.db2.gz QASMRJQLJODVDE-CEXWTWQISA-N 1 3 310.526 3.372 20 30 DGEDHO CCCCCCCCCC[C@@H](O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001252985828 1105865578 /nfs/dbraw/zinc/86/55/78/1105865578.db2.gz QASMRJQLJODVDE-CEXWTWQISA-N 1 3 310.526 3.372 20 30 DGEDHO C=CC[N@H+](Cc1ccccc1)C1CCC(N2CCOCC2)CC1 ZINC001256695838 1106470649 /nfs/dbraw/zinc/47/06/49/1106470649.db2.gz PLSLKNXKJDYIDW-UHFFFAOYSA-N 1 3 314.473 3.318 20 30 DGEDHO C=CC[N@@H+](Cc1ccccc1)C1CCC(N2CCOCC2)CC1 ZINC001256695838 1106470651 /nfs/dbraw/zinc/47/06/51/1106470651.db2.gz PLSLKNXKJDYIDW-UHFFFAOYSA-N 1 3 314.473 3.318 20 30 DGEDHO C=CCC[C@H](C)[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC001258720053 1106929584 /nfs/dbraw/zinc/92/95/84/1106929584.db2.gz QIERICZIRMLBIT-SFHVURJKSA-N 1 3 315.505 3.268 20 30 DGEDHO C=CCC[C@H](C)N1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001258731016 1106938299 /nfs/dbraw/zinc/93/82/99/1106938299.db2.gz TZCSMCAFAULEOM-YTQUADARSA-N 1 3 306.494 3.164 20 30 DGEDHO C=CCC[C@H](C)N1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001258731016 1106938318 /nfs/dbraw/zinc/93/83/18/1106938318.db2.gz TZCSMCAFAULEOM-YTQUADARSA-N 1 3 306.494 3.164 20 30 DGEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001258731016 1106938328 /nfs/dbraw/zinc/93/83/28/1106938328.db2.gz TZCSMCAFAULEOM-YTQUADARSA-N 1 3 306.494 3.164 20 30 DGEDHO C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001258731016 1106938339 /nfs/dbraw/zinc/93/83/39/1106938339.db2.gz TZCSMCAFAULEOM-YTQUADARSA-N 1 3 306.494 3.164 20 30 DGEDHO C[C@@H](CCC#N)C[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000602656162 400527623 /nfs/dbraw/zinc/52/76/23/400527623.db2.gz WPKKWSAFYFZPSU-INIZCTEOSA-N 1 3 315.461 3.189 20 30 DGEDHO CN1CCC2(CCC[N@@H+]2Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597111138 400560179 /nfs/dbraw/zinc/56/01/79/400560179.db2.gz NNVQWXDEEMUCBA-UHFFFAOYSA-N 1 3 309.457 3.302 20 30 DGEDHO CN1CCC2(CCC[N@H+]2Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597111138 400560183 /nfs/dbraw/zinc/56/01/83/400560183.db2.gz NNVQWXDEEMUCBA-UHFFFAOYSA-N 1 3 309.457 3.302 20 30 DGEDHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC1(CC#N)CC1 ZINC000602808199 400581854 /nfs/dbraw/zinc/58/18/54/400581854.db2.gz DHONQSHGXQCQST-IAGOWNOFSA-N 1 3 311.473 3.426 20 30 DGEDHO C[C@H](c1ccc(C#N)cc1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844370 400589373 /nfs/dbraw/zinc/58/93/73/400589373.db2.gz CHQZMZZOFGOACZ-MRXNPFEDSA-N 1 3 306.413 3.227 20 30 DGEDHO C[C@@H](c1cccc(C#N)c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847088 400589751 /nfs/dbraw/zinc/58/97/51/400589751.db2.gz IDPJAWMDBOYZHQ-INIZCTEOSA-N 1 3 306.413 3.227 20 30 DGEDHO CC(C)(C#N)CCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000602846235 400589795 /nfs/dbraw/zinc/58/97/95/400589795.db2.gz DNCILGBWWWLCDO-UHFFFAOYSA-N 1 3 300.450 3.314 20 30 DGEDHO CC(C)(C#N)CCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000602846235 400589798 /nfs/dbraw/zinc/58/97/98/400589798.db2.gz DNCILGBWWWLCDO-UHFFFAOYSA-N 1 3 300.450 3.314 20 30 DGEDHO C=CCC[C@H](CC)[NH2+]CC1(N)CCN(Cc2ccccc2)CC1 ZINC000423578698 434494526 /nfs/dbraw/zinc/49/45/26/434494526.db2.gz UUKWIHXWJAKHHU-IBGZPJMESA-N 1 3 315.505 3.314 20 30 DGEDHO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000368967182 434585189 /nfs/dbraw/zinc/58/51/89/434585189.db2.gz VOQHYTNVAMBNSR-MRXNPFEDSA-N 1 3 313.445 3.038 20 30 DGEDHO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000368967182 434585198 /nfs/dbraw/zinc/58/51/98/434585198.db2.gz VOQHYTNVAMBNSR-MRXNPFEDSA-N 1 3 313.445 3.038 20 30 DGEDHO C[C@H](C#N)Oc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1 ZINC000368967182 434585206 /nfs/dbraw/zinc/58/52/06/434585206.db2.gz VOQHYTNVAMBNSR-MRXNPFEDSA-N 1 3 313.445 3.038 20 30 DGEDHO C=CCCCC[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658137852 436384437 /nfs/dbraw/zinc/38/44/37/436384437.db2.gz LYPUFABGQSGHNV-XLIONFOSSA-N 1 3 316.489 3.478 20 30 DGEDHO C=CCC[C@@H](CCC)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658139522 436386686 /nfs/dbraw/zinc/38/66/86/436386686.db2.gz MRUHJYOSPVAMMW-UXHICEINSA-N 1 3 316.489 3.478 20 30 DGEDHO C=C(C)COCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180159791 526654175 /nfs/dbraw/zinc/65/41/75/526654175.db2.gz GWBFNRBSWKFURJ-IHWFROFDSA-N 1 3 314.473 3.364 20 30 DGEDHO C=C(C)COCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180159791 526654179 /nfs/dbraw/zinc/65/41/79/526654179.db2.gz GWBFNRBSWKFURJ-IHWFROFDSA-N 1 3 314.473 3.364 20 30 DGEDHO C=CCOc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1Cl ZINC000347063621 526866462 /nfs/dbraw/zinc/86/64/62/526866462.db2.gz CFANDALSDBVXPE-CYBMUJFWSA-N 1 3 308.853 3.464 20 30 DGEDHO C=CCC[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CC1 ZINC000182267257 527485881 /nfs/dbraw/zinc/48/58/81/527485881.db2.gz RMQPABDFCNTDRO-PMACEKPBSA-N 1 3 314.473 3.088 20 30 DGEDHO C=CCOc1ccccc1C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000685462782 549765424 /nfs/dbraw/zinc/76/54/24/549765424.db2.gz AIAFYOUNLVJZLY-SFHVURJKSA-N 1 3 314.473 3.415 20 30 DGEDHO C=CCOc1ccccc1C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000685462782 549765425 /nfs/dbraw/zinc/76/54/25/549765425.db2.gz AIAFYOUNLVJZLY-SFHVURJKSA-N 1 3 314.473 3.415 20 30 DGEDHO N#CCC1(CN[C@H](CCCC[NH3+])c2ccc(F)cc2F)CC1 ZINC000902385160 619629186 /nfs/dbraw/zinc/62/91/86/619629186.db2.gz YDTTUIGWTFVPHB-MRXNPFEDSA-N 1 3 307.388 3.418 20 30 DGEDHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OCC#N)cc1 ZINC000859214792 621261350 /nfs/dbraw/zinc/26/13/50/621261350.db2.gz NYAVGFBQGNYLPU-UHFFFAOYSA-N 1 3 323.440 3.283 20 30 DGEDHO N#CCC[C@H](C#N)CNCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000871910709 622736132 /nfs/dbraw/zinc/73/61/32/622736132.db2.gz AIRBVTHCHKFEOF-HXUWFJFHSA-N 1 3 324.472 3.322 20 30 DGEDHO C[C@@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000873234994 623086095 /nfs/dbraw/zinc/08/60/95/623086095.db2.gz JQIQFRBCDLXSBA-VQIMIIECSA-N 1 3 323.440 3.200 20 30 DGEDHO C[NH+]1CCC2(CCCN(CC#Cc3cccc(Cl)c3)C2)CC1 ZINC000799178613 626278052 /nfs/dbraw/zinc/27/80/52/626278052.db2.gz XWPBFCOBYRYIGW-UHFFFAOYSA-N 1 3 316.876 3.499 20 30 DGEDHO CCC1(N2CCC2)CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000886718410 627197358 /nfs/dbraw/zinc/19/73/58/627197358.db2.gz ZGTHCPSSXGLLPZ-UHFFFAOYSA-N 1 3 319.493 3.037 20 30 DGEDHO C[C@@H](CC(C)(C)C#N)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000926694188 627933972 /nfs/dbraw/zinc/93/39/72/627933972.db2.gz QZURJXBPZKYEGS-INIZCTEOSA-N 1 3 314.477 3.212 20 30 DGEDHO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2N)c1 ZINC000817919904 627961267 /nfs/dbraw/zinc/96/12/67/627961267.db2.gz WJSZHPCBZYXGER-NJAFHUGGSA-N 1 3 301.434 3.117 20 30 DGEDHO CCN1CCC[C@@H]1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849056913 631821153 /nfs/dbraw/zinc/82/11/53/631821153.db2.gz DRQGDXDSNNCQGG-GOSISDBHSA-N 1 3 314.477 3.425 20 30 DGEDHO CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CCCN1CC ZINC000303713512 657557147 /nfs/dbraw/zinc/55/71/47/657557147.db2.gz QUZVBYOBZADQGU-MRXNPFEDSA-N 1 3 302.466 3.022 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCC[C@@H](C)C2)cc1C ZINC000303908864 657698809 /nfs/dbraw/zinc/69/88/09/657698809.db2.gz XVUJUQYTNBXTOH-CZUORRHYSA-N 1 3 302.466 3.150 20 30 DGEDHO N#CC1(CCCC[N@@H+]2CCCN(c3ccncc3)CC2)CCC1 ZINC000930806146 661431529 /nfs/dbraw/zinc/43/15/29/661431529.db2.gz NPIIOQWAKGNPQI-UHFFFAOYSA-N 1 3 312.461 3.458 20 30 DGEDHO N#CC1(CCCC[N@H+]2CCCN(c3ccncc3)CC2)CCC1 ZINC000930806146 661431531 /nfs/dbraw/zinc/43/15/31/661431531.db2.gz NPIIOQWAKGNPQI-UHFFFAOYSA-N 1 3 312.461 3.458 20 30 DGEDHO C#CCCOc1ccc(C[N@@H+](C)C2CCN(CCC)CC2)cc1 ZINC000092165669 662328108 /nfs/dbraw/zinc/32/81/08/662328108.db2.gz VRNZKFWQKGMPSF-UHFFFAOYSA-N 1 3 314.473 3.395 20 30 DGEDHO C#CCCOc1ccc(C[N@H+](C)C2CCN(CCC)CC2)cc1 ZINC000092165669 662328112 /nfs/dbraw/zinc/32/81/12/662328112.db2.gz VRNZKFWQKGMPSF-UHFFFAOYSA-N 1 3 314.473 3.395 20 30 DGEDHO CCCN1CCC([N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000092165499 662328172 /nfs/dbraw/zinc/32/81/72/662328172.db2.gz LQNJWUCPARCEOK-INIZCTEOSA-N 1 3 315.461 3.284 20 30 DGEDHO CCCN1CCC([N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000092165499 662328174 /nfs/dbraw/zinc/32/81/74/662328174.db2.gz LQNJWUCPARCEOK-INIZCTEOSA-N 1 3 315.461 3.284 20 30 DGEDHO C=CCC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001331441070 1178215217 /nfs/dbraw/zinc/21/52/17/1178215217.db2.gz VWACEBYRWKRJHC-IAGOWNOFSA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)cc1Cl ZINC001461831403 1182864364 /nfs/dbraw/zinc/86/43/64/1182864364.db2.gz STLXIRUHMZOBSX-ZMSDIMECSA-N 1 3 320.864 3.335 20 30 DGEDHO CCCCCCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001569528141 1190713548 /nfs/dbraw/zinc/71/35/48/1190713548.db2.gz UCHAVZSRMFGJQH-ZWKOTPCHSA-N 1 3 323.525 3.022 20 30 DGEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001707242308 1202577922 /nfs/dbraw/zinc/57/79/22/1202577922.db2.gz VHQHAMSIYPMNFS-MSOLQXFVSA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001707242311 1202577935 /nfs/dbraw/zinc/57/79/35/1202577935.db2.gz VHQHAMSIYPMNFS-ZWKOTPCHSA-N 1 3 323.525 3.042 20 30 DGEDHO CC(C)[C@@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)N1CCCC1 ZINC000236691714 1202621059 /nfs/dbraw/zinc/62/10/59/1202621059.db2.gz XEOWYPCVEMXEHS-IOJLRTSASA-N 1 3 311.473 3.320 20 30 DGEDHO C=C(C)C[N@@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C(C)C ZINC001267501347 1082961420 /nfs/dbraw/zinc/96/14/20/1082961420.db2.gz PUYYZVVBSSSDQR-UHFFFAOYSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)C[N@H+](CCCNC(=O)C(C)(C)N1CCCCC1)C(C)C ZINC001267501347 1082961426 /nfs/dbraw/zinc/96/14/26/1082961426.db2.gz PUYYZVVBSSSDQR-UHFFFAOYSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155225965 1092124979 /nfs/dbraw/zinc/12/49/79/1092124979.db2.gz DDKLAGBYNGMMMR-ZWKOTPCHSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155225965 1092124983 /nfs/dbraw/zinc/12/49/83/1092124983.db2.gz DDKLAGBYNGMMMR-ZWKOTPCHSA-N 1 3 323.525 3.044 20 30 DGEDHO CCCCCCC[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209631884 1092855482 /nfs/dbraw/zinc/85/54/82/1092855482.db2.gz HPIZMNRAIVSBEV-ZWKOTPCHSA-N 1 3 323.525 3.022 20 30 DGEDHO CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135980351 1094774285 /nfs/dbraw/zinc/77/42/85/1094774285.db2.gz ODDRWTBIYHJGFN-IRXDYDNUSA-N 1 3 313.530 3.172 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001340216186 1095908593 /nfs/dbraw/zinc/90/85/93/1095908593.db2.gz QROTVARVXRJTPR-SJORKVTESA-N 1 3 311.514 3.007 20 30 DGEDHO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001228660825 1097161332 /nfs/dbraw/zinc/16/13/32/1097161332.db2.gz LBOKPZNHHPZHNG-KURKYZTESA-N 1 3 323.525 3.090 20 30 DGEDHO C[C@H](CCCC#N)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001172491104 1097167955 /nfs/dbraw/zinc/16/79/55/1097167955.db2.gz DATRJQVCYOQODK-OAHLLOKOSA-N 1 3 303.425 3.244 20 30 DGEDHO C(#Cc1ccc(CN2CC3(C2)CC[NH2+]CC3)cc1)c1ccccc1 ZINC001235089665 1098792860 /nfs/dbraw/zinc/79/28/60/1098792860.db2.gz PUVLPBXFQKBDFH-UHFFFAOYSA-N 1 3 316.448 3.272 20 30 DGEDHO C=CCC[NH2+]CCCCCCNC(=O)C(C)(C)N1CCCCC1 ZINC001178490354 1098852202 /nfs/dbraw/zinc/85/22/02/1098852202.db2.gz KJRDKIBPEYFITA-UHFFFAOYSA-N 1 3 323.525 3.093 20 30 DGEDHO N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC001235423332 1099015620 /nfs/dbraw/zinc/01/56/20/1099015620.db2.gz GCEAVWXFSMUDNA-CVEARBPZSA-N 1 3 317.864 3.423 20 30 DGEDHO C=CC[N@@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)C1CCCCC1 ZINC001236433793 1099609283 /nfs/dbraw/zinc/60/92/83/1099609283.db2.gz LQMCLQFREZIRKU-UHFFFAOYSA-N 1 3 316.445 3.195 20 30 DGEDHO C=CC[N@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)C1CCCCC1 ZINC001236433793 1099609286 /nfs/dbraw/zinc/60/92/86/1099609286.db2.gz LQMCLQFREZIRKU-UHFFFAOYSA-N 1 3 316.445 3.195 20 30 DGEDHO N#Cc1cc(-c2cccc(C3=NCCC3)c2)cc(C2C[NH2+]C2)c1 ZINC001240360566 1100959250 /nfs/dbraw/zinc/95/92/50/1100959250.db2.gz ICZFKBAGPHMULM-UHFFFAOYSA-N 1 3 301.393 3.495 20 30 DGEDHO CCCCCCCCCC[C@@H](O)CN[C@H](C1CC1)C1C[NH2+]C1 ZINC001246018465 1104354609 /nfs/dbraw/zinc/35/46/09/1104354609.db2.gz FUKJWIHMPYPPKI-RTBURBONSA-N 1 3 310.526 3.466 20 30 DGEDHO CCCCCCCCC[C@@H](C)N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246626010 1104634678 /nfs/dbraw/zinc/63/46/78/1104634678.db2.gz JDDJGDHTYZLAHA-QGZVFWFLSA-N 1 3 323.525 3.070 20 30 DGEDHO N#C[C@H]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001254636864 1106118804 /nfs/dbraw/zinc/11/88/04/1106118804.db2.gz NZQJAJBVEHNYOK-YHDCXSKOSA-N 1 3 309.457 3.464 20 30 DGEDHO N#C[C@H]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001254636864 1106118807 /nfs/dbraw/zinc/11/88/07/1106118807.db2.gz NZQJAJBVEHNYOK-YHDCXSKOSA-N 1 3 309.457 3.464 20 30 DGEDHO N#C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001254651038 1106122729 /nfs/dbraw/zinc/12/27/29/1106122729.db2.gz ZWAHQUKHEQZXED-SJLPKXTDSA-N 1 3 315.436 3.320 20 30 DGEDHO N=C(N[C@@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc2ccccc2n1 ZINC001256904247 1106506804 /nfs/dbraw/zinc/50/68/04/1106506804.db2.gz ILSQFYYXRZWZIQ-MRXNPFEDSA-N 1 3 322.456 3.347 20 30 DGEDHO N=C(N[C@@H]1CCC[N@H+](C2CCCC2)C1)c1ccc2ccccc2n1 ZINC001256904247 1106506807 /nfs/dbraw/zinc/50/68/07/1106506807.db2.gz ILSQFYYXRZWZIQ-MRXNPFEDSA-N 1 3 322.456 3.347 20 30 DGEDHO CCC[NH+]1CCC(NCCSCc2ccccc2C#N)CC1 ZINC000170670737 432076197 /nfs/dbraw/zinc/07/61/97/432076197.db2.gz ALDPLJXLQSWYCC-UHFFFAOYSA-N 1 3 317.502 3.255 20 30 DGEDHO C[C@H](CCC#N)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000602535129 400490578 /nfs/dbraw/zinc/49/05/78/400490578.db2.gz XVLIMXNIQMCAJJ-OAHLLOKOSA-N 1 3 305.491 3.490 20 30 DGEDHO C=CCC[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccco1 ZINC000635006708 401401144 /nfs/dbraw/zinc/40/11/44/401401144.db2.gz CJUZTCVBKVRMCG-INIZCTEOSA-N 1 3 312.417 3.204 20 30 DGEDHO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCN(CC)C[C@H]1C)C(C)C ZINC000247029696 432194221 /nfs/dbraw/zinc/19/42/21/432194221.db2.gz MDTVLADZAXHYBN-CEXWTWQISA-N 1 3 307.526 3.005 20 30 DGEDHO CN(C)CCOc1ccccc1C[NH2+]CC(C)(C)CCC#N ZINC000174323718 228289780 /nfs/dbraw/zinc/28/97/80/228289780.db2.gz BEQSFJILOPREDU-UHFFFAOYSA-N 1 3 303.450 3.047 20 30 DGEDHO C[C@@H]1CN(CCC2CC[NH+](CCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000345760275 229156473 /nfs/dbraw/zinc/15/64/73/229156473.db2.gz UABRYNLWYUGXEW-CALCHBBNSA-N 1 3 321.509 3.138 20 30 DGEDHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000245895142 432868394 /nfs/dbraw/zinc/86/83/94/432868394.db2.gz MXAPHMMMCURAHM-IXDOHACOSA-N 1 3 315.461 3.098 20 30 DGEDHO C=CCN(CC=C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000422835655 434043666 /nfs/dbraw/zinc/04/36/66/434043666.db2.gz PUKMGTDALSBYQZ-MTQWCTHYSA-N 1 3 319.537 3.195 20 30 DGEDHO C=CCOc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423109439 434222430 /nfs/dbraw/zinc/22/24/30/434222430.db2.gz SNKFKSRHYNDXBZ-CQSZACIVSA-N 1 3 311.429 3.264 20 30 DGEDHO C=CCC[C@H](CCC)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658139521 436386751 /nfs/dbraw/zinc/38/67/51/436386751.db2.gz MRUHJYOSPVAMMW-PMACEKPBSA-N 1 3 316.489 3.478 20 30 DGEDHO C=CCOc1ccc(C[N@H+](C)CC2CCN(C)CC2)cc1OC ZINC000093089014 526860475 /nfs/dbraw/zinc/86/04/75/526860475.db2.gz OKBQTRDWILTCPQ-UHFFFAOYSA-N 1 3 318.461 3.034 20 30 DGEDHO C=CCOc1ccc(C[N@@H+](C)CC2CCN(C)CC2)cc1OC ZINC000093089014 526860482 /nfs/dbraw/zinc/86/04/82/526860482.db2.gz OKBQTRDWILTCPQ-UHFFFAOYSA-N 1 3 318.461 3.034 20 30 DGEDHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442713371 528155207 /nfs/dbraw/zinc/15/52/07/528155207.db2.gz WJVQJRWOWXWPQI-SJLPKXTDSA-N 1 3 315.461 3.189 20 30 DGEDHO CC1CC[NH+](CCCCNCc2ccc(C#N)c(F)c2)CC1 ZINC000421322711 528237902 /nfs/dbraw/zinc/23/79/02/528237902.db2.gz FCHBUCODSCGCRY-UHFFFAOYSA-N 1 3 303.425 3.299 20 30 DGEDHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CC[C@@H]21 ZINC000597030195 547034927 /nfs/dbraw/zinc/03/49/27/547034927.db2.gz QVBTZQSBCNWKIX-MJGOQNOKSA-N 1 3 309.457 3.158 20 30 DGEDHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)CC[C@@H]21 ZINC000597030195 547034932 /nfs/dbraw/zinc/03/49/32/547034932.db2.gz QVBTZQSBCNWKIX-MJGOQNOKSA-N 1 3 309.457 3.158 20 30 DGEDHO CC[C@H](C#N)Oc1cccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925619152 618510617 /nfs/dbraw/zinc/51/06/17/618510617.db2.gz LCOLRAOWBFTLLD-GVDBMIGSSA-N 1 3 315.461 3.363 20 30 DGEDHO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000858137409 621156743 /nfs/dbraw/zinc/15/67/43/621156743.db2.gz PJMQWRUOQXOKIK-DLBZAZTESA-N 1 3 315.461 3.330 20 30 DGEDHO CC(C)[NH+]1CCC(CCNCc2ccc(C#N)cc2F)CC1 ZINC000865717499 621982425 /nfs/dbraw/zinc/98/24/25/621982425.db2.gz ZUHJNNZZFAQJPJ-UHFFFAOYSA-N 1 3 303.425 3.297 20 30 DGEDHO C#CCOc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000764663261 622211475 /nfs/dbraw/zinc/21/14/75/622211475.db2.gz RJQZAZYUKHMYFC-QGZVFWFLSA-N 1 3 300.446 3.225 20 30 DGEDHO C#CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000769471003 622530561 /nfs/dbraw/zinc/53/05/61/622530561.db2.gz PTIVQNQDSACYHB-SJLPKXTDSA-N 1 3 300.446 3.003 20 30 DGEDHO C#CCOc1ccc(C[N@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000769471003 622530562 /nfs/dbraw/zinc/53/05/62/622530562.db2.gz PTIVQNQDSACYHB-SJLPKXTDSA-N 1 3 300.446 3.003 20 30 DGEDHO C#CCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1 ZINC000769471004 622530920 /nfs/dbraw/zinc/53/09/20/622530920.db2.gz PTIVQNQDSACYHB-WMZOPIPTSA-N 1 3 300.446 3.003 20 30 DGEDHO C#CCOc1ccc(C[N@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1 ZINC000769471004 622530921 /nfs/dbraw/zinc/53/09/21/622530921.db2.gz PTIVQNQDSACYHB-WMZOPIPTSA-N 1 3 300.446 3.003 20 30 DGEDHO C[C@@H]1CN(CCCCC(C)(C)C#N)CCN1c1cc[nH+]cc1 ZINC000880259910 624874685 /nfs/dbraw/zinc/87/46/85/624874685.db2.gz LKDWUJWPFGOVCB-MRXNPFEDSA-N 1 3 300.450 3.312 20 30 DGEDHO C=CCC[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)[C@@H]1CCCO1 ZINC000883237963 626619564 /nfs/dbraw/zinc/61/95/64/626619564.db2.gz OMCXEYPBKMUFSH-QYZOEREBSA-N 1 3 306.494 3.212 20 30 DGEDHO C=CCc1cc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc(OC)c1OC ZINC000817908997 627958998 /nfs/dbraw/zinc/95/89/98/627958998.db2.gz LSYBRAZCAROGFP-IAGOWNOFSA-N 1 3 318.461 3.182 20 30 DGEDHO C=CCc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1OC ZINC000817909360 627959812 /nfs/dbraw/zinc/95/98/12/627959812.db2.gz OKWUFBKXJKBAOY-IAGOWNOFSA-N 1 3 318.461 3.039 20 30 DGEDHO CCCCN1CCC([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000236759954 656367640 /nfs/dbraw/zinc/36/76/40/656367640.db2.gz GYZJQAZJPQRLJW-MRXNPFEDSA-N 1 3 315.461 3.332 20 30 DGEDHO CCCN1CCC([N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000092165500 662328045 /nfs/dbraw/zinc/32/80/45/662328045.db2.gz LQNJWUCPARCEOK-MRXNPFEDSA-N 1 3 315.461 3.284 20 30 DGEDHO CCCN1CCC([N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000092165500 662328048 /nfs/dbraw/zinc/32/80/48/662328048.db2.gz LQNJWUCPARCEOK-MRXNPFEDSA-N 1 3 315.461 3.284 20 30 DGEDHO CCCCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001570378690 1190847872 /nfs/dbraw/zinc/84/78/72/1190847872.db2.gz YKPBMZWDYNPOFJ-QGZVFWFLSA-N 1 3 323.525 3.022 20 30 DGEDHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)[C@@H]2C1 ZINC001660251686 1196462636 /nfs/dbraw/zinc/46/26/36/1196462636.db2.gz ZWRDQCVJNTWDBJ-OLEYIWRESA-N 1 3 323.484 3.320 20 30 DGEDHO C=CCC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001734012924 1205288394 /nfs/dbraw/zinc/28/83/94/1205288394.db2.gz VJSMDLCJZKAWFL-WWDZGPRUSA-N 1 3 323.525 3.041 20 30 DGEDHO C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369720 1083280379 /nfs/dbraw/zinc/28/03/79/1083280379.db2.gz RILFAPYANIRZEN-IRXDYDNUSA-N 1 3 323.525 3.090 20 30 DGEDHO C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369494 1083280520 /nfs/dbraw/zinc/28/05/20/1083280520.db2.gz NHLMPEYALGRMGW-DLBZAZTESA-N 1 3 323.525 3.090 20 30 DGEDHO C=CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583680 1083309496 /nfs/dbraw/zinc/30/94/96/1083309496.db2.gz NDQBXUCWXVXPES-DLBZAZTESA-N 1 3 323.525 3.090 20 30 DGEDHO CCCCCCC[NH2+]CCNC(=O)c1ccccc1CN(C)C ZINC001152383082 1087964730 /nfs/dbraw/zinc/96/47/30/1087964730.db2.gz AWISYQKFMUTKQM-UHFFFAOYSA-N 1 3 319.493 3.038 20 30 DGEDHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001169125839 1092545028 /nfs/dbraw/zinc/54/50/28/1092545028.db2.gz MKFPFKJANCELEL-BWTSREIZSA-N 1 3 309.457 3.169 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC001121983417 1094859002 /nfs/dbraw/zinc/85/90/02/1094859002.db2.gz ZHAUCGIAOLPWGA-KRWDZBQOSA-N 1 3 311.514 3.007 20 30 DGEDHO CCCCCCC[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001227806940 1096992859 /nfs/dbraw/zinc/99/28/59/1096992859.db2.gz IQYOMRVFGMOOLD-UHFFFAOYSA-N 1 3 323.525 3.022 20 30 DGEDHO C[C@@H](CCCC#N)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001172491103 1097168059 /nfs/dbraw/zinc/16/80/59/1097168059.db2.gz DATRJQVCYOQODK-HNNXBMFYSA-N 1 3 303.425 3.244 20 30 DGEDHO C=CC[N@H+](CCc1ccco1)Cc1ccnn1-c1ccncc1 ZINC001180340565 1099376699 /nfs/dbraw/zinc/37/66/99/1099376699.db2.gz XOBXTBBRRQDZQY-UHFFFAOYSA-N 1 3 308.385 3.091 20 30 DGEDHO C=CC[N@@H+](CCc1ccco1)Cc1ccnn1-c1ccncc1 ZINC001180340565 1099376711 /nfs/dbraw/zinc/37/67/11/1099376711.db2.gz XOBXTBBRRQDZQY-UHFFFAOYSA-N 1 3 308.385 3.091 20 30 DGEDHO C=CCN(CCc1ccco1)Cc1ccnn1-c1cc[nH+]cc1 ZINC001180340565 1099376722 /nfs/dbraw/zinc/37/67/22/1099376722.db2.gz XOBXTBBRRQDZQY-UHFFFAOYSA-N 1 3 308.385 3.091 20 30 DGEDHO CCCCCCCCCN1CCN(CC[NH+]2CCCC2)CC1 ZINC001201852586 1102736863 /nfs/dbraw/zinc/73/68/63/1102736863.db2.gz DLADXSYGTGTSCT-UHFFFAOYSA-N 1 3 309.542 3.450 20 30 DGEDHO C=CCCCCCC[C@@H](O)C[N@H+](C1CCC1)C1CCNCC1 ZINC001246070330 1104364386 /nfs/dbraw/zinc/36/43/86/1104364386.db2.gz NISHICUHEQDOFA-LJQANCHMSA-N 1 3 308.510 3.480 20 30 DGEDHO C=CCCCCCC[C@@H](O)C[N@@H+](C1CCC1)C1CCNCC1 ZINC001246070330 1104364398 /nfs/dbraw/zinc/36/43/98/1104364398.db2.gz NISHICUHEQDOFA-LJQANCHMSA-N 1 3 308.510 3.480 20 30 DGEDHO N#CC1(c2ccc(F)cc2)CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246089440 1104377885 /nfs/dbraw/zinc/37/78/85/1104377885.db2.gz FILLRPQKSLSNHG-XBMUEBEBSA-N 1 3 315.436 3.261 20 30 DGEDHO CCCC[C@@H]1C[C@@H](NCCCOc2ccccc2C#N)CC[NH2+]1 ZINC001246328383 1104492652 /nfs/dbraw/zinc/49/26/52/1104492652.db2.gz LRFSRECNGULVMR-MSOLQXFVSA-N 1 3 315.461 3.228 20 30 DGEDHO CC(C)(C)[C@@H]1C[C@H](NCCCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246328301 1104492863 /nfs/dbraw/zinc/49/28/63/1104492863.db2.gz KZQZMANGPOWFMS-AEFFLSMTSA-N 1 3 315.461 3.083 20 30 DGEDHO CCCC[C@H]1C[C@H](NCCCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246327922 1104492912 /nfs/dbraw/zinc/49/29/12/1104492912.db2.gz KFZFXVSOVILAPJ-ZWKOTPCHSA-N 1 3 315.461 3.228 20 30 DGEDHO C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4CNC[C@]4(C(F)(F)F)C3)C[C@H](C1)C2 ZINC001246656415 1104651062 /nfs/dbraw/zinc/65/10/62/1104651062.db2.gz NQOMHHCWUKPZGR-MCAJLIOHSA-N 1 3 314.395 3.205 20 30 DGEDHO C=C1C[C@@H]2CC([N@H+]3C[C@@H]4CNC[C@]4(C(F)(F)F)C3)C[C@H](C1)C2 ZINC001246656415 1104651064 /nfs/dbraw/zinc/65/10/64/1104651064.db2.gz NQOMHHCWUKPZGR-MCAJLIOHSA-N 1 3 314.395 3.205 20 30 DGEDHO N#C[C@H]1CC[C@@H]([NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)C1 ZINC001254665769 1106127531 /nfs/dbraw/zinc/12/75/31/1106127531.db2.gz PXBHWJOQKSOTOF-FUHWJXTLSA-N 1 3 313.445 3.260 20 30 DGEDHO CC[C@@H](CC#N)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001255159841 1106193977 /nfs/dbraw/zinc/19/39/77/1106193977.db2.gz CGVOHNYIZZWWDY-KRWDZBQOSA-N 1 3 303.425 3.320 20 30 DGEDHO N#Cc1cncc(C[NH2+][C@H]2CCCN(Cc3ccccc3)CC2)c1 ZINC001255392002 1106239630 /nfs/dbraw/zinc/23/96/30/1106239630.db2.gz WYZREMLMGIBNOX-FQEVSTJZSA-N 1 3 320.440 3.098 20 30 DGEDHO N#CC1CCC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC001256963975 1106516791 /nfs/dbraw/zinc/51/67/91/1106516791.db2.gz SQXPXHQBPHFKEC-LXPRWKDFSA-N 1 3 301.478 3.479 20 30 DGEDHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000181524695 199310761 /nfs/dbraw/zinc/31/07/61/199310761.db2.gz DHVDIAOIUUYEFW-MRXNPFEDSA-N 1 3 323.440 3.349 20 30 DGEDHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000181524567 199310958 /nfs/dbraw/zinc/31/09/58/199310958.db2.gz VRUIXZQGKUDFPE-MRXNPFEDSA-N 1 3 323.440 3.349 20 30 DGEDHO COc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1C#N ZINC000610992428 400334235 /nfs/dbraw/zinc/33/42/35/400334235.db2.gz CYEFWXDBKJMVHZ-UHFFFAOYSA-N 1 3 315.461 3.119 20 30 DGEDHO COc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1C#N ZINC000610992428 400334236 /nfs/dbraw/zinc/33/42/36/400334236.db2.gz CYEFWXDBKJMVHZ-UHFFFAOYSA-N 1 3 315.461 3.119 20 30 DGEDHO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000590962126 400469977 /nfs/dbraw/zinc/46/99/77/400469977.db2.gz JVHCPPKKXFHYIQ-HXUWFJFHSA-N 1 3 318.424 3.199 20 30 DGEDHO CN1CCC([C@H]2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000597133399 400566584 /nfs/dbraw/zinc/56/65/84/400566584.db2.gz TWZCZHDOLUJMGM-IBGZPJMESA-N 1 3 323.484 3.405 20 30 DGEDHO CN1CCC([C@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000597133399 400566588 /nfs/dbraw/zinc/56/65/88/400566588.db2.gz TWZCZHDOLUJMGM-IBGZPJMESA-N 1 3 323.484 3.405 20 30 DGEDHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C)C(C)C ZINC000246860681 432174094 /nfs/dbraw/zinc/17/40/94/432174094.db2.gz DADHDBWOBZBIHJ-INDMIFKZSA-N 1 3 307.526 3.003 20 30 DGEDHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(C#N)c(F)c1 ZINC000355051353 267182423 /nfs/dbraw/zinc/18/24/23/267182423.db2.gz BOQHINGNLJEWNJ-AWEZNQCLSA-N 1 3 303.425 3.470 20 30 DGEDHO C[C@@H](NCc1cccc(C#N)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151368714 432240692 /nfs/dbraw/zinc/24/06/92/432240692.db2.gz HWBUHBOKXVKDFN-MRXNPFEDSA-N 1 3 323.440 3.349 20 30 DGEDHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000069674729 431213486 /nfs/dbraw/zinc/21/34/86/431213486.db2.gz XZQDIQQRKGBFRG-INIZCTEOSA-N 1 3 323.440 3.349 20 30 DGEDHO N#Cc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)c(F)c1 ZINC000271449527 432398112 /nfs/dbraw/zinc/39/81/12/432398112.db2.gz DMGFJPFZCVTIIR-UHFFFAOYSA-N 1 3 324.403 3.099 20 30 DGEDHO N#C[C@@H]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000424328353 434700653 /nfs/dbraw/zinc/70/06/53/434700653.db2.gz NZQJAJBVEHNYOK-UJMXGEILSA-N 1 3 309.457 3.464 20 30 DGEDHO N#C[C@@H]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000424328353 434700657 /nfs/dbraw/zinc/70/06/57/434700657.db2.gz NZQJAJBVEHNYOK-UJMXGEILSA-N 1 3 309.457 3.464 20 30 DGEDHO C=CCOc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656786262 436044232 /nfs/dbraw/zinc/04/42/32/436044232.db2.gz RABAVJJTGCWHDD-IBGZPJMESA-N 1 3 314.473 3.463 20 30 DGEDHO C=CCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000651322008 436164401 /nfs/dbraw/zinc/16/44/01/436164401.db2.gz PSYJGYPQBYVTBD-ZCNNSNEGSA-N 1 3 314.473 3.222 20 30 DGEDHO C=CCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000651322008 436164408 /nfs/dbraw/zinc/16/44/08/436164408.db2.gz PSYJGYPQBYVTBD-ZCNNSNEGSA-N 1 3 314.473 3.222 20 30 DGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000657594846 436257035 /nfs/dbraw/zinc/25/70/35/436257035.db2.gz DEBMJTRNLZKSJS-NSISKUIASA-N 1 3 314.473 3.088 20 30 DGEDHO CC1CC[NH+](C2CCC(NC[C@@H](C#N)CCC#N)CC2)CC1 ZINC000572714587 332654047 /nfs/dbraw/zinc/65/40/47/332654047.db2.gz QGYDDTINJQYBRX-WWDZGPRUSA-N 1 3 302.466 3.063 20 30 DGEDHO C=C(CC)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000449730081 534418567 /nfs/dbraw/zinc/41/85/67/534418567.db2.gz CRWCNBGXMFHOIA-UHFFFAOYSA-N 1 3 301.478 3.273 20 30 DGEDHO C=CCOc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000347108613 526864920 /nfs/dbraw/zinc/86/49/20/526864920.db2.gz OYEHNGHJFQYOSX-IBGZPJMESA-N 1 3 300.446 3.215 20 30 DGEDHO C=CCN(Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000680481795 549058230 /nfs/dbraw/zinc/05/82/30/549058230.db2.gz XOTPEHGZPQRJNW-UHFFFAOYSA-N 1 3 300.446 3.312 20 30 DGEDHO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([O-])c1 ZINC000741465095 574549561 /nfs/dbraw/zinc/54/95/61/574549561.db2.gz SXVISEFNMOXEKG-FTRLWIBISA-N 1 3 303.450 3.140 20 30 DGEDHO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([O-])c1 ZINC000741465095 574549563 /nfs/dbraw/zinc/54/95/63/574549563.db2.gz SXVISEFNMOXEKG-FTRLWIBISA-N 1 3 303.450 3.140 20 30 DGEDHO CC(C)CON=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000749636564 576098402 /nfs/dbraw/zinc/09/84/02/576098402.db2.gz PTDXTJQNAIKQOW-UHFFFAOYSA-N 1 3 303.450 3.224 20 30 DGEDHO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000924937577 618744570 /nfs/dbraw/zinc/74/45/70/618744570.db2.gz DOWLVXDIPLOFHD-PKOBYXMFSA-N 1 3 313.489 3.469 20 30 DGEDHO CC[C@@H](NC1CC[NH+](CCCOC)CC1)c1cccc(C#N)c1 ZINC000902787273 619676204 /nfs/dbraw/zinc/67/62/04/619676204.db2.gz YYYHODYCVAWTSD-LJQANCHMSA-N 1 3 315.461 3.100 20 30 DGEDHO N#Cc1ccc(C2(NCc3cccc4c3CC[NH2+]C4)CCC2)cc1 ZINC000903932015 619836401 /nfs/dbraw/zinc/83/64/01/619836401.db2.gz LCAFYFUCTCXMTF-UHFFFAOYSA-N 1 3 317.436 3.373 20 30 DGEDHO CCN(CC)c1ccc(/C=[NH+]/C2CC[NH+](CC)CC2)c([O-])c1 ZINC000920944541 620828899 /nfs/dbraw/zinc/82/88/99/620828899.db2.gz ODRMMTWTDFWUPH-XMHGGMMESA-N 1 3 303.450 3.142 20 30 DGEDHO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000858490965 621197800 /nfs/dbraw/zinc/19/78/00/621197800.db2.gz UDVDJPBPPVIIKR-SJORKVTESA-N 1 3 300.446 3.081 20 30 DGEDHO C#CC[C@H](CCOC)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000862547392 621600041 /nfs/dbraw/zinc/60/00/41/621600041.db2.gz DPGJTRNWJHDDHF-SCTDSRPQSA-N 1 3 306.494 3.048 20 30 DGEDHO C#CC[C@H](CCOC)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000862547392 621600044 /nfs/dbraw/zinc/60/00/44/621600044.db2.gz DPGJTRNWJHDDHF-SCTDSRPQSA-N 1 3 306.494 3.048 20 30 DGEDHO C#CCOc1cccc(Cl)c1CNCCC1CC[NH+](C)CC1 ZINC000778167945 623619380 /nfs/dbraw/zinc/61/93/80/623619380.db2.gz VRUKWDUZYGGWPT-UHFFFAOYSA-N 1 3 320.864 3.174 20 30 DGEDHO C#CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000790751783 625692563 /nfs/dbraw/zinc/69/25/63/625692563.db2.gz XOGZQIMMTAJWSD-QGZVFWFLSA-N 1 3 314.473 3.471 20 30 DGEDHO COc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1C#N ZINC000809738963 626944259 /nfs/dbraw/zinc/94/42/59/626944259.db2.gz RGZSLAUASURQFO-UHFFFAOYSA-N 1 3 323.440 3.260 20 30 DGEDHO CC(C)N(CCNC(=[NH2+])Nc1ccc2c(c1)CCC2)C(C)C ZINC000303723891 657559131 /nfs/dbraw/zinc/55/91/31/657559131.db2.gz ZHJANNNJNNYNFX-UHFFFAOYSA-N 1 3 302.466 3.021 20 30 DGEDHO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)N1CCC[C@@H](C)C1 ZINC000303910695 657578844 /nfs/dbraw/zinc/57/88/44/657578844.db2.gz ZCXHZDRIUFYYSM-CABCVRRESA-N 1 3 314.477 3.022 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC001521527930 1187028287 /nfs/dbraw/zinc/02/82/87/1187028287.db2.gz YKFIPXMGUXALEF-KRWDZBQOSA-N 1 3 323.525 3.057 20 30 DGEDHO C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001170750177 1083286413 /nfs/dbraw/zinc/28/64/13/1083286413.db2.gz HDGXMAGFRDPKNZ-ZWKOTPCHSA-N 1 3 323.525 3.090 20 30 DGEDHO C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001170751818 1083292149 /nfs/dbraw/zinc/29/21/49/1083292149.db2.gz VYPTWPSPEVBGAK-MSOLQXFVSA-N 1 3 323.525 3.090 20 30 DGEDHO CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001155289205 1089048983 /nfs/dbraw/zinc/04/89/83/1089048983.db2.gz OOBQKKNMXHEGBT-SJORKVTESA-N 1 3 313.530 3.124 20 30 DGEDHO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001155289205 1089048998 /nfs/dbraw/zinc/04/89/98/1089048998.db2.gz OOBQKKNMXHEGBT-SJORKVTESA-N 1 3 313.530 3.124 20 30 DGEDHO C=C(C)CC[NH2+]C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001202973128 1091676163 /nfs/dbraw/zinc/67/61/63/1091676163.db2.gz BBYJFGDUHLCSRD-UHFFFAOYSA-N 1 3 323.525 3.045 20 30 DGEDHO C[NH+]1CCC2(CCN(Cc3cccc(C#N)c3Cl)C2)CC1 ZINC001140809818 1092013048 /nfs/dbraw/zinc/01/30/48/1092013048.db2.gz JDBNDAUYTYQRIF-UHFFFAOYSA-N 1 3 303.837 3.129 20 30 DGEDHO CCCCCCC[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208331923 1092316546 /nfs/dbraw/zinc/31/65/46/1092316546.db2.gz YOPUMNFKHOADHH-QGZVFWFLSA-N 1 3 323.525 3.022 20 30 DGEDHO CCCCCCC[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208341352 1092320732 /nfs/dbraw/zinc/32/07/32/1092320732.db2.gz ZNAXPCQYYOXKCS-QGZVFWFLSA-N 1 3 323.525 3.022 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NCCCN(C)Cc2ccccc2)cc1 ZINC000303789272 1093848648 /nfs/dbraw/zinc/84/86/48/1093848648.db2.gz VEVFTKGEYZTTSA-UHFFFAOYSA-N 1 3 310.445 3.244 20 30 DGEDHO CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136036366 1094808927 /nfs/dbraw/zinc/80/89/27/1094808927.db2.gz VZRSTELDLYBLJW-HUUCEWRRSA-N 1 3 322.497 3.104 20 30 DGEDHO C=CCCCCC[C@H](N)C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001220509213 1095108325 /nfs/dbraw/zinc/10/83/25/1095108325.db2.gz OTAWTTGBTZKMST-INIZCTEOSA-N 1 3 323.525 3.218 20 30 DGEDHO C[C@@H](Cc1cccc(C#N)c1)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001171178659 1095651261 /nfs/dbraw/zinc/65/12/61/1095651261.db2.gz JCOCOGKEURUGMP-KURKYZTESA-N 1 3 313.489 3.447 20 30 DGEDHO C=CCOC1CCC([NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC001173319357 1097429338 /nfs/dbraw/zinc/42/93/38/1097429338.db2.gz GTDYURMBBUBPST-UHFFFAOYSA-N 1 3 306.494 3.451 20 30 DGEDHO CCN([C@@H]1CCOC1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173600158 1097469084 /nfs/dbraw/zinc/46/90/84/1097469084.db2.gz WGPPROIIZABDMS-CUYAVPTFSA-N 1 3 319.493 3.034 20 30 DGEDHO Cc1cc(C#N)cc(C)c1CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001175774501 1098166958 /nfs/dbraw/zinc/16/69/58/1098166958.db2.gz FMKHYGZSILCGPQ-QGZVFWFLSA-N 1 3 320.440 3.281 20 30 DGEDHO C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178693639 1098911950 /nfs/dbraw/zinc/91/19/50/1098911950.db2.gz YOXZNVYUBWGBML-KRWDZBQOSA-N 1 3 323.525 3.092 20 30 DGEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)CN(C)CCCCCC)[C@H]1C ZINC001179749023 1099197641 /nfs/dbraw/zinc/19/76/41/1099197641.db2.gz UNHFNWIMZGHJBP-ROUUACIJSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001179746805 1099197926 /nfs/dbraw/zinc/19/79/26/1099197926.db2.gz YJAAVTOSIPCLQK-SFHVURJKSA-N 1 3 323.525 3.092 20 30 DGEDHO [NH3+]CC[C@@H]1CCCN1Cc1ccccc1C#Cc1ccccc1 ZINC001235925385 1099262076 /nfs/dbraw/zinc/26/20/76/1099262076.db2.gz KOJQWQNFPSPRFL-NRFANRHFSA-N 1 3 304.437 3.400 20 30 DGEDHO CCCCCCC[C@@H](CCC)NCc1nnn2c1C[NH2+]CCC2 ZINC001246133391 1104401159 /nfs/dbraw/zinc/40/11/59/1104401159.db2.gz NPNPBWWJHGPWGH-MRXNPFEDSA-N 1 3 321.513 3.390 20 30 DGEDHO C#Cc1cccc(C[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246260879 1104464535 /nfs/dbraw/zinc/46/45/35/1104464535.db2.gz BVIUHBCTHJVDJH-NHCUHLMSSA-N 1 3 304.437 3.121 20 30 DGEDHO C[NH2+][C@@]12CC[C@@](NCc3c[nH]c4ccc(C#N)cc34)(C1)CCC2 ZINC001275950475 1104966702 /nfs/dbraw/zinc/96/67/02/1104966702.db2.gz XMSYORCECYSRJT-RBUKOAKNSA-N 1 3 308.429 3.194 20 30 DGEDHO C=CCCCCCC[C@H](O)CNC1CC[NH+](CC2CC2)CC1 ZINC001253255456 1105913492 /nfs/dbraw/zinc/91/34/92/1105913492.db2.gz JAGJPQSQPJRTHM-IBGZPJMESA-N 1 3 308.510 3.338 20 30 DGEDHO C=CCCCCCC[C@@H](O)CNC1CC[NH+](CC2CC2)CC1 ZINC001253255458 1105913859 /nfs/dbraw/zinc/91/38/59/1105913859.db2.gz JAGJPQSQPJRTHM-LJQANCHMSA-N 1 3 308.510 3.338 20 30 DGEDHO N#C[C@H]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001254643868 1106120593 /nfs/dbraw/zinc/12/05/93/1106120593.db2.gz NZQJAJBVEHNYOK-VYJAJWGXSA-N 1 3 309.457 3.464 20 30 DGEDHO N#C[C@H]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001254643868 1106120596 /nfs/dbraw/zinc/12/05/96/1106120596.db2.gz NZQJAJBVEHNYOK-VYJAJWGXSA-N 1 3 309.457 3.464 20 30 DGEDHO CC(C)CN1CCC([NH2+]CCCOc2ccccc2C#N)CC1 ZINC001258004069 1106655701 /nfs/dbraw/zinc/65/57/01/1106655701.db2.gz BEQBLMKXEYXSDB-UHFFFAOYSA-N 1 3 315.461 3.037 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001263126970 1107955279 /nfs/dbraw/zinc/95/52/79/1107955279.db2.gz BPSGGFMRDJMYMN-OKZBNKHCSA-N 1 3 323.525 3.055 20 30 DGEDHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(C#N)c(F)c1 ZINC000271906911 209314096 /nfs/dbraw/zinc/31/40/96/209314096.db2.gz CHUVKILQJIUROP-ZDUSSCGKSA-N 1 3 301.409 3.222 20 30 DGEDHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000595505737 400172357 /nfs/dbraw/zinc/17/23/57/400172357.db2.gz XTRTYYFSYKRMMI-FQEVSTJZSA-N 1 3 311.473 3.405 20 30 DGEDHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000595505737 400172361 /nfs/dbraw/zinc/17/23/61/400172361.db2.gz XTRTYYFSYKRMMI-FQEVSTJZSA-N 1 3 311.473 3.405 20 30 DGEDHO CCc1cc(NC2CCN(Cc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000593518304 400870119 /nfs/dbraw/zinc/87/01/19/400870119.db2.gz YMJMYUJZQYYWHA-UHFFFAOYSA-N 1 3 320.440 3.014 20 30 DGEDHO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC000248721366 432314701 /nfs/dbraw/zinc/31/47/01/432314701.db2.gz CIJRAPWBNYJETD-VAMGGRTRSA-N 1 3 311.473 3.223 20 30 DGEDHO N#C[C@@H]1CCC[C@@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000248721366 432314704 /nfs/dbraw/zinc/31/47/04/432314704.db2.gz CIJRAPWBNYJETD-VAMGGRTRSA-N 1 3 311.473 3.223 20 30 DGEDHO N#C[C@@H]1CCC[C@@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000248721366 432314707 /nfs/dbraw/zinc/31/47/07/432314707.db2.gz CIJRAPWBNYJETD-VAMGGRTRSA-N 1 3 311.473 3.223 20 30 DGEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000175008115 432388000 /nfs/dbraw/zinc/38/80/00/432388000.db2.gz RPDLHZGHYOXOFT-QZTJIDSGSA-N 1 3 315.461 3.332 20 30 DGEDHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(OCC#N)cc1 ZINC000192946392 432432585 /nfs/dbraw/zinc/43/25/85/432432585.db2.gz OBYLQYVDSJCYSG-QGZVFWFLSA-N 1 3 315.461 3.362 20 30 DGEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccc(C#N)s2)C1 ZINC000176948495 432569484 /nfs/dbraw/zinc/56/94/84/432569484.db2.gz XWQGNOKRPHMAPZ-GASCZTMLSA-N 1 3 305.491 3.467 20 30 DGEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccc(C#N)s2)C1 ZINC000176948495 432569487 /nfs/dbraw/zinc/56/94/87/432569487.db2.gz XWQGNOKRPHMAPZ-GASCZTMLSA-N 1 3 305.491 3.467 20 30 DGEDHO C=C(C)COCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245667949 432853852 /nfs/dbraw/zinc/85/38/52/432853852.db2.gz GWBFNRBSWKFURJ-ACDBMABISA-N 1 3 314.473 3.364 20 30 DGEDHO C=C(C)COCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245667949 432853855 /nfs/dbraw/zinc/85/38/55/432853855.db2.gz GWBFNRBSWKFURJ-ACDBMABISA-N 1 3 314.473 3.364 20 30 DGEDHO C=CCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000289740764 432973596 /nfs/dbraw/zinc/97/35/96/432973596.db2.gz QFCOGIQSIZVKFL-JWTNVVGKSA-N 1 3 300.446 3.308 20 30 DGEDHO C=CCOc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000289740764 432973600 /nfs/dbraw/zinc/97/36/00/432973600.db2.gz QFCOGIQSIZVKFL-JWTNVVGKSA-N 1 3 300.446 3.308 20 30 DGEDHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1 ZINC000181616507 289951530 /nfs/dbraw/zinc/95/15/30/289951530.db2.gz MXAPHMMMCURAHM-ZACQAIPSSA-N 1 3 315.461 3.098 20 30 DGEDHO CSC1(CN[C@@H](C)c2ccc(C#N)cc2F)CC[NH+](C)CC1 ZINC000353627407 434287031 /nfs/dbraw/zinc/28/70/31/434287031.db2.gz KFSMJEKSSUBUIH-ZDUSSCGKSA-N 1 3 321.465 3.175 20 30 DGEDHO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(N)CCN(Cc2ccccc2)CC1 ZINC000423545482 434483962 /nfs/dbraw/zinc/48/39/62/434483962.db2.gz CRCYLHXVHWHVPQ-QZTJIDSGSA-N 1 3 315.505 3.170 20 30 DGEDHO C=CCC[C@@H](CC)[NH2+]CC1(N)CCN(Cc2ccccc2)CC1 ZINC000423578699 434495100 /nfs/dbraw/zinc/49/51/00/434495100.db2.gz UUKWIHXWJAKHHU-LJQANCHMSA-N 1 3 315.505 3.314 20 30 DGEDHO CCC(CC)(CNC(=O)C(C)C#N)[NH2+][C@H](C)c1ccccc1 ZINC000522996599 434936389 /nfs/dbraw/zinc/93/63/89/434936389.db2.gz XBGKXDPKZQIUIL-LSDHHAIUSA-N 1 3 301.434 3.172 20 30 DGEDHO C=CCOCCN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638970187 435123313 /nfs/dbraw/zinc/12/33/13/435123313.db2.gz PAHMVBOPMOKTBL-MJGOQNOKSA-N 1 3 300.446 3.147 20 30 DGEDHO C=CCOCCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638970187 435123317 /nfs/dbraw/zinc/12/33/17/435123317.db2.gz PAHMVBOPMOKTBL-MJGOQNOKSA-N 1 3 300.446 3.147 20 30 DGEDHO C=CCOCCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638970188 435123701 /nfs/dbraw/zinc/12/37/01/435123701.db2.gz PAHMVBOPMOKTBL-PKOBYXMFSA-N 1 3 300.446 3.147 20 30 DGEDHO C=CCOCCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638970188 435123704 /nfs/dbraw/zinc/12/37/04/435123704.db2.gz PAHMVBOPMOKTBL-PKOBYXMFSA-N 1 3 300.446 3.147 20 30 DGEDHO C=CCOc1cccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000565331455 435277988 /nfs/dbraw/zinc/27/79/88/435277988.db2.gz HQQIMJFLGKBEJN-IEBWSBKVSA-N 1 3 300.446 3.168 20 30 DGEDHO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000565331455 435277993 /nfs/dbraw/zinc/27/79/93/435277993.db2.gz HQQIMJFLGKBEJN-IEBWSBKVSA-N 1 3 300.446 3.168 20 30 DGEDHO C=CCOc1cccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000570437250 435618485 /nfs/dbraw/zinc/61/84/85/435618485.db2.gz PLBZMXRPSHVPRH-IBGZPJMESA-N 1 3 314.473 3.415 20 30 DGEDHO C=CCOc1cccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000570437250 435618489 /nfs/dbraw/zinc/61/84/89/435618489.db2.gz PLBZMXRPSHVPRH-IBGZPJMESA-N 1 3 314.473 3.415 20 30 DGEDHO C=CCC[C@@H](CCC)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658139524 436386960 /nfs/dbraw/zinc/38/69/60/436386960.db2.gz MRUHJYOSPVAMMW-WOJBJXKFSA-N 1 3 316.489 3.478 20 30 DGEDHO C=CCCCC[C@@H](C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000449230727 534696475 /nfs/dbraw/zinc/69/64/75/534696475.db2.gz BGMXZINDQLJTLH-XLIONFOSSA-N 1 3 316.489 3.478 20 30 DGEDHO C=CCOc1ccc(CN2CCC(C[NH2+]CC)CC2)cc1OC ZINC000347020995 526866445 /nfs/dbraw/zinc/86/64/45/526866445.db2.gz NMHPIQKBDKWGTA-UHFFFAOYSA-N 1 3 318.461 3.082 20 30 DGEDHO C=CCOc1ccccc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357057607 526932315 /nfs/dbraw/zinc/93/23/15/526932315.db2.gz UMORAYPCHYQQEP-QGZVFWFLSA-N 1 3 300.446 3.073 20 30 DGEDHO C=CCC1([NH2+]C2CCN(C3CCCCC3)CC2)CCOCC1 ZINC000668552658 547477472 /nfs/dbraw/zinc/47/74/72/547477472.db2.gz QLVQARVDZNZFGC-UHFFFAOYSA-N 1 3 306.494 3.498 20 30 DGEDHO CC[C@H](C#N)Oc1cccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925619157 618511807 /nfs/dbraw/zinc/51/18/07/618511807.db2.gz LCOLRAOWBFTLLD-YESZJQIVSA-N 1 3 315.461 3.363 20 30 DGEDHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902750018 619669896 /nfs/dbraw/zinc/66/98/96/619669896.db2.gz YKDKXJNPLLIPBZ-JKSUJKDBSA-N 1 3 300.450 3.116 20 30 DGEDHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902750018 619669897 /nfs/dbraw/zinc/66/98/97/619669897.db2.gz YKDKXJNPLLIPBZ-JKSUJKDBSA-N 1 3 300.450 3.116 20 30 DGEDHO C=CCCC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600796 621007431 /nfs/dbraw/zinc/00/74/31/621007431.db2.gz XAOFLFLYVRVISR-LJQANCHMSA-N 1 3 317.477 3.341 20 30 DGEDHO C=CCCC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600796 621007436 /nfs/dbraw/zinc/00/74/36/621007436.db2.gz XAOFLFLYVRVISR-LJQANCHMSA-N 1 3 317.477 3.341 20 30 DGEDHO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000858137410 621156976 /nfs/dbraw/zinc/15/69/76/621156976.db2.gz PJMQWRUOQXOKIK-IAGOWNOFSA-N 1 3 315.461 3.330 20 30 DGEDHO C[C@H](NCc1ccc(C#N)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000765011438 622239704 /nfs/dbraw/zinc/23/97/04/622239704.db2.gz MPGNBRYALABVBV-INIZCTEOSA-N 1 3 323.440 3.349 20 30 DGEDHO CC[NH+](CC)CCC[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000877141617 623805102 /nfs/dbraw/zinc/80/51/02/623805102.db2.gz BBQVHXCFAQEXGP-ZDUSSCGKSA-N 1 3 308.857 3.207 20 30 DGEDHO C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000131188209 625962532 /nfs/dbraw/zinc/96/25/32/625962532.db2.gz QPZAZJSSTWBBKN-QGZVFWFLSA-N 1 3 314.473 3.470 20 30 DGEDHO C#CCOc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738932 626944097 /nfs/dbraw/zinc/94/40/97/626944097.db2.gz PTCWNZXVBDKOPR-UHFFFAOYSA-N 1 3 322.452 3.392 20 30 DGEDHO CC[N@H+](CCCN1CCCC1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809749342 626946460 /nfs/dbraw/zinc/94/64/60/626946460.db2.gz FQHPIGSKUBNEIO-KRWDZBQOSA-N 1 3 315.461 3.285 20 30 DGEDHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809749342 626946462 /nfs/dbraw/zinc/94/64/62/626946462.db2.gz FQHPIGSKUBNEIO-KRWDZBQOSA-N 1 3 315.461 3.285 20 30 DGEDHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCCCC(C)(C)C#N ZINC000887135019 627228404 /nfs/dbraw/zinc/22/84/04/627228404.db2.gz UXIRLAKYKVSMRK-MRXNPFEDSA-N 1 3 300.450 3.312 20 30 DGEDHO C#Cc1cccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000834904649 629804912 /nfs/dbraw/zinc/80/49/12/629804912.db2.gz ZZSHKGNXDGTQRL-QGZVFWFLSA-N 1 3 322.452 3.459 20 30 DGEDHO C=C(C)C[NH+]1CCC(NC/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835038761 629831196 /nfs/dbraw/zinc/83/11/96/629831196.db2.gz ZQFBQRFFHMFSDL-AATRIKPKSA-N 1 3 313.489 3.396 20 30 DGEDHO C=C[C@@H](C)ON=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000844622892 630744120 /nfs/dbraw/zinc/74/41/20/630744120.db2.gz CRZJXWKHZQHVEM-OAHLLOKOSA-N 1 3 301.434 3.142 20 30 DGEDHO CCC(CC)[C@H](C[NH+]=C(NCc1ccccc1)N(C)C)N(C)C ZINC000849055693 631821490 /nfs/dbraw/zinc/82/14/90/631821490.db2.gz YWKLHYHISIBXCA-SFHVURJKSA-N 1 3 318.509 3.060 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@@H]2C)cc1C ZINC000303888539 657573702 /nfs/dbraw/zinc/57/37/02/657573702.db2.gz LMUSREKPQNRHKW-JKSUJKDBSA-N 1 3 302.466 3.293 20 30 DGEDHO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)N1CCC[C@H](C)C1 ZINC000303910697 657577992 /nfs/dbraw/zinc/57/79/92/657577992.db2.gz ZCXHZDRIUFYYSM-GJZGRUSLSA-N 1 3 314.477 3.022 20 30 DGEDHO C=C1CCC(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)CC1 ZINC001474702730 1183964336 /nfs/dbraw/zinc/96/43/36/1183964336.db2.gz VGZLVPIASJGXTA-UHFFFAOYSA-N 1 3 306.494 3.356 20 30 DGEDHO C=CCN(CCOC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001658491852 1196264992 /nfs/dbraw/zinc/26/49/92/1196264992.db2.gz HTLDBOYPJFTYOR-UHFFFAOYSA-N 1 3 302.462 3.307 20 30 DGEDHO C=CCCCCCCN1CCN(CCC[NH+](CC)CC)CC1 ZINC001209436012 1081752067 /nfs/dbraw/zinc/75/20/67/1081752067.db2.gz MGDHLZPQGPJUPK-UHFFFAOYSA-N 1 3 309.542 3.472 20 30 DGEDHO C=CCN1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132420069 1082903580 /nfs/dbraw/zinc/90/35/80/1082903580.db2.gz MHVQTCQTYZPDHH-ZWKOTPCHSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCN1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132420066 1082904036 /nfs/dbraw/zinc/90/40/36/1082904036.db2.gz MHVQTCQTYZPDHH-MSOLQXFVSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001170751825 1083292017 /nfs/dbraw/zinc/29/20/17/1083292017.db2.gz VYPTWPSPEVBGAK-ZWKOTPCHSA-N 1 3 323.525 3.090 20 30 DGEDHO C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001155612258 1089185534 /nfs/dbraw/zinc/18/55/34/1089185534.db2.gz RMILWQZBRQCNIK-QZTJIDSGSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001155612258 1089185547 /nfs/dbraw/zinc/18/55/47/1089185547.db2.gz RMILWQZBRQCNIK-QZTJIDSGSA-N 1 3 323.525 3.044 20 30 DGEDHO C[C@H](Nc1cccc(N2CCC([NH3+])CC2)n1)c1cccc(C#N)c1 ZINC001156873081 1089726818 /nfs/dbraw/zinc/72/68/18/1089726818.db2.gz BDFZMXWEXDJLDZ-AWEZNQCLSA-N 1 3 321.428 3.054 20 30 DGEDHO CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157112963 1089827428 /nfs/dbraw/zinc/82/74/28/1089827428.db2.gz DLTGFEGDOLHKCO-QGZVFWFLSA-N 1 3 313.530 3.124 20 30 DGEDHO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157112963 1089827440 /nfs/dbraw/zinc/82/74/40/1089827440.db2.gz DLTGFEGDOLHKCO-QGZVFWFLSA-N 1 3 313.530 3.124 20 30 DGEDHO C[C@H]1CN(Cc2ccccc2C#Cc2ccccc2)C[C@H]1C[NH3+] ZINC001205145821 1091112321 /nfs/dbraw/zinc/11/23/21/1091112321.db2.gz JDZFVVBDWAJQOJ-LAUBAEHRSA-N 1 3 304.437 3.113 20 30 DGEDHO C#CCOc1ccc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)cc1 ZINC001206591561 1091681030 /nfs/dbraw/zinc/68/10/30/1091681030.db2.gz SVHWXOGUTGJYQZ-SFHVURJKSA-N 1 3 300.446 3.051 20 30 DGEDHO C[NH+]1CCC2(CCN(Cc3cc(C#N)ccc3Cl)C2)CC1 ZINC001140603084 1091928220 /nfs/dbraw/zinc/92/82/20/1091928220.db2.gz ZRLNWMFJSBWESO-UHFFFAOYSA-N 1 3 303.837 3.129 20 30 DGEDHO CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001169125840 1092544669 /nfs/dbraw/zinc/54/46/69/1092544669.db2.gz MKFPFKJANCELEL-REPLKXPHSA-N 1 3 309.457 3.169 20 30 DGEDHO N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952784 1092607910 /nfs/dbraw/zinc/60/79/10/1092607910.db2.gz LMIMRWGNNSHYKY-LWYYNNOASA-N 1 3 309.457 3.275 20 30 DGEDHO N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952784 1092607917 /nfs/dbraw/zinc/60/79/17/1092607917.db2.gz LMIMRWGNNSHYKY-LWYYNNOASA-N 1 3 309.457 3.275 20 30 DGEDHO CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135705734 1094646966 /nfs/dbraw/zinc/64/69/66/1094646966.db2.gz ILQOGOPSABGLOR-SJORKVTESA-N 1 3 313.530 3.172 20 30 DGEDHO CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136036367 1094807801 /nfs/dbraw/zinc/80/78/01/1094807801.db2.gz VZRSTELDLYBLJW-LSDHHAIUSA-N 1 3 322.497 3.104 20 30 DGEDHO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222610447 1095691777 /nfs/dbraw/zinc/69/17/77/1095691777.db2.gz YJUBMRVCSLLFNV-HXUWFJFHSA-N 1 3 317.436 3.056 20 30 DGEDHO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222610447 1095691783 /nfs/dbraw/zinc/69/17/83/1095691783.db2.gz YJUBMRVCSLLFNV-HXUWFJFHSA-N 1 3 317.436 3.056 20 30 DGEDHO C=C(C)COc1ccccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623802 1095697761 /nfs/dbraw/zinc/69/77/61/1095697761.db2.gz MSKVARAGJOHTEM-CALCHBBNSA-N 1 3 300.446 3.073 20 30 DGEDHO C=CCC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171237691 1095889380 /nfs/dbraw/zinc/88/93/80/1095889380.db2.gz RWFQESHXFMXMSE-IAGOWNOFSA-N 1 3 323.525 3.090 20 30 DGEDHO C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001176759585 1098433973 /nfs/dbraw/zinc/43/39/73/1098433973.db2.gz KSXRGNZQJSPBPK-QZTJIDSGSA-N 1 3 323.525 3.092 20 30 DGEDHO C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580455 1099150735 /nfs/dbraw/zinc/15/07/35/1099150735.db2.gz HHNRBQRQPGQFAY-ROUUACIJSA-N 1 3 323.525 3.092 20 30 DGEDHO N#Cc1ccc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1F ZINC001236375494 1099562999 /nfs/dbraw/zinc/56/29/99/1099562999.db2.gz YWYLTWDVKRWHTR-INIZCTEOSA-N 1 3 315.436 3.442 20 30 DGEDHO C[NH+]1CCC2(CCN(Cc3ccc(Cl)c(C#N)c3)C2)CC1 ZINC001238193111 1100385585 /nfs/dbraw/zinc/38/55/85/1100385585.db2.gz YFLCPMRZPWODAI-UHFFFAOYSA-N 1 3 303.837 3.129 20 30 DGEDHO C=CCCCCC[NH2+]C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001201328070 1102556232 /nfs/dbraw/zinc/55/62/32/1102556232.db2.gz VOTNLDADECTBFI-UHFFFAOYSA-N 1 3 323.525 3.044 20 30 DGEDHO C[C@H]1CC[C@@H](CNC2CCC(C#N)(c3ccccc3)CC2)[NH2+]C1 ZINC001246104092 1104388528 /nfs/dbraw/zinc/38/85/28/1104388528.db2.gz JETJEPCXTFBBDH-VHBXLISGSA-N 1 3 311.473 3.368 20 30 DGEDHO CC1(C)C[C@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CCN1 ZINC001246805561 1104683709 /nfs/dbraw/zinc/68/37/09/1104683709.db2.gz KHECJMNGHGVDSH-LJQANCHMSA-N 1 3 311.473 3.343 20 30 DGEDHO CC[C@@H]1C[C@@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CCN1 ZINC001246811812 1104687068 /nfs/dbraw/zinc/68/70/68/1104687068.db2.gz RIKCVQZKSQEJGV-UXHICEINSA-N 1 3 311.473 3.343 20 30 DGEDHO CC[C@@H]1C[C@@H](N2CCC(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246811812 1104687072 /nfs/dbraw/zinc/68/70/72/1104687072.db2.gz RIKCVQZKSQEJGV-UXHICEINSA-N 1 3 311.473 3.343 20 30 DGEDHO C[C@H](CN)C[N@H+](C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254349908 1106057971 /nfs/dbraw/zinc/05/79/71/1106057971.db2.gz VNTUNYULBZILJM-RWBZWWBESA-N 1 3 303.425 3.056 20 30 DGEDHO C[C@H](CN)C[N@@H+](C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254349908 1106057976 /nfs/dbraw/zinc/05/79/76/1106057976.db2.gz VNTUNYULBZILJM-RWBZWWBESA-N 1 3 303.425 3.056 20 30 DGEDHO C[NH+](C)CCCOc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000066971879 432024493 /nfs/dbraw/zinc/02/44/93/432024493.db2.gz MLSCSMOZPUNJCA-UHFFFAOYSA-N 1 3 323.440 3.179 20 30 DGEDHO C=C(C)COCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180179659 432079848 /nfs/dbraw/zinc/07/98/48/432079848.db2.gz KHLYYCYRZUPELZ-SLFFLAALSA-N 1 3 314.473 3.079 20 30 DGEDHO C=C(C)COCCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180179659 432079852 /nfs/dbraw/zinc/07/98/52/432079852.db2.gz KHLYYCYRZUPELZ-SLFFLAALSA-N 1 3 314.473 3.079 20 30 DGEDHO C=C(C)COCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180179659 432079855 /nfs/dbraw/zinc/07/98/55/432079855.db2.gz KHLYYCYRZUPELZ-SLFFLAALSA-N 1 3 314.473 3.079 20 30 DGEDHO N#Cc1ccc(CCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000595388090 400137997 /nfs/dbraw/zinc/13/79/97/400137997.db2.gz UISRXPQEJQMHHJ-QUCCMNQESA-N 1 3 309.457 3.049 20 30 DGEDHO N#Cc1ccc(CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000595388090 400137999 /nfs/dbraw/zinc/13/79/99/400137999.db2.gz UISRXPQEJQMHHJ-QUCCMNQESA-N 1 3 309.457 3.049 20 30 DGEDHO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCN(CC3CC3)C1)CC2 ZINC000596097492 400317075 /nfs/dbraw/zinc/31/70/75/400317075.db2.gz YCAOIVITJQTIEY-PXNSSMCTSA-N 1 3 309.457 3.257 20 30 DGEDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602575287 400501794 /nfs/dbraw/zinc/50/17/94/400501794.db2.gz SBUYLFQACSDPKF-QZTJIDSGSA-N 1 3 321.509 3.043 20 30 DGEDHO CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602575287 400501798 /nfs/dbraw/zinc/50/17/98/400501798.db2.gz SBUYLFQACSDPKF-QZTJIDSGSA-N 1 3 321.509 3.043 20 30 DGEDHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602575287 400501799 /nfs/dbraw/zinc/50/17/99/400501799.db2.gz SBUYLFQACSDPKF-QZTJIDSGSA-N 1 3 321.509 3.043 20 30 DGEDHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132021 400566097 /nfs/dbraw/zinc/56/60/97/400566097.db2.gz FRLBBUXXLBIXIG-IEBWSBKVSA-N 1 3 309.457 3.158 20 30 DGEDHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132021 400566102 /nfs/dbraw/zinc/56/61/02/400566102.db2.gz FRLBBUXXLBIXIG-IEBWSBKVSA-N 1 3 309.457 3.158 20 30 DGEDHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132021 400566105 /nfs/dbraw/zinc/56/61/05/400566105.db2.gz FRLBBUXXLBIXIG-IEBWSBKVSA-N 1 3 309.457 3.158 20 30 DGEDHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132021 400566110 /nfs/dbraw/zinc/56/61/10/400566110.db2.gz FRLBBUXXLBIXIG-IEBWSBKVSA-N 1 3 309.457 3.158 20 30 DGEDHO CN(CCCC[NH+]1CCCCC1)Cc1ccc(F)c(C#N)c1 ZINC000603111538 400643493 /nfs/dbraw/zinc/64/34/93/400643493.db2.gz RKUVZHFCSFNGFS-UHFFFAOYSA-N 1 3 303.425 3.395 20 30 DGEDHO N#CCC1(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC000602834310 400586427 /nfs/dbraw/zinc/58/64/27/400586427.db2.gz YSQSNWSYPAUGHS-FQEVSTJZSA-N 1 3 309.457 3.278 20 30 DGEDHO N#CCC1(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC000602834310 400586429 /nfs/dbraw/zinc/58/64/29/400586429.db2.gz YSQSNWSYPAUGHS-FQEVSTJZSA-N 1 3 309.457 3.278 20 30 DGEDHO C=CC[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000191396338 432260469 /nfs/dbraw/zinc/26/04/69/432260469.db2.gz XKJFPHOLDFBZDU-UHFFFAOYSA-N 1 3 315.505 3.091 20 30 DGEDHO C=CC[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000191396338 432260471 /nfs/dbraw/zinc/26/04/71/432260471.db2.gz XKJFPHOLDFBZDU-UHFFFAOYSA-N 1 3 315.505 3.091 20 30 DGEDHO CC[NH+](CC)CCOc1ccccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442713372 279110909 /nfs/dbraw/zinc/11/09/09/279110909.db2.gz WJVQJRWOWXWPQI-WMZOPIPTSA-N 1 3 315.461 3.189 20 30 DGEDHO CN(CCC#N)c1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000072786110 431347521 /nfs/dbraw/zinc/34/75/21/431347521.db2.gz KSFYSMSWCDIZOH-UHFFFAOYSA-N 1 3 314.477 3.002 20 30 DGEDHO C#CCCOc1ccc(C[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000271035691 432318275 /nfs/dbraw/zinc/31/82/75/432318275.db2.gz JRGYCRLBAHRMCP-UHFFFAOYSA-N 1 3 314.473 3.393 20 30 DGEDHO C#CCCOc1ccc(C[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000271035691 432318278 /nfs/dbraw/zinc/31/82/78/432318278.db2.gz JRGYCRLBAHRMCP-UHFFFAOYSA-N 1 3 314.473 3.393 20 30 DGEDHO C=CCOc1cccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261796186 432451285 /nfs/dbraw/zinc/45/12/85/432451285.db2.gz VJAOIZQZPHCAFD-CTNGQTDRSA-N 1 3 322.452 3.426 20 30 DGEDHO C=CCCCCCN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000193323683 432464962 /nfs/dbraw/zinc/46/49/62/432464962.db2.gz KJWYRJROJXBOLN-RTBURBONSA-N 1 3 307.526 3.223 20 30 DGEDHO N#Cc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cc1F ZINC000421344981 433489212 /nfs/dbraw/zinc/48/92/12/433489212.db2.gz VRQFHRUJQVETPY-UHFFFAOYSA-N 1 3 324.403 3.099 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449546976 433752022 /nfs/dbraw/zinc/75/20/22/433752022.db2.gz GDRBJMQCXFMDPD-YSHGAJCASA-N 1 3 306.494 3.353 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000449546976 433752033 /nfs/dbraw/zinc/75/20/33/433752033.db2.gz GDRBJMQCXFMDPD-YSHGAJCASA-N 1 3 306.494 3.353 20 30 DGEDHO C[C@@H](C#N)Oc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000377628152 433932735 /nfs/dbraw/zinc/93/27/35/433932735.db2.gz OEBJJJSKISSQQD-QTXGHNMQSA-N 1 3 313.445 3.034 20 30 DGEDHO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000377628152 433932744 /nfs/dbraw/zinc/93/27/44/433932744.db2.gz OEBJJJSKISSQQD-QTXGHNMQSA-N 1 3 313.445 3.034 20 30 DGEDHO CC(C)CCNC(=[NH2+])NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000304809936 434018058 /nfs/dbraw/zinc/01/80/58/434018058.db2.gz VZTMGQOKXPTGEO-GOEBONIOSA-N 1 3 322.522 3.081 20 30 DGEDHO N#CCC1(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000366892128 434529010 /nfs/dbraw/zinc/52/90/10/434529010.db2.gz YLIGWVOGUOAOSK-CEXWTWQISA-N 1 3 309.457 3.180 20 30 DGEDHO N#CCC1(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000366892128 434529019 /nfs/dbraw/zinc/52/90/19/434529019.db2.gz YLIGWVOGUOAOSK-CEXWTWQISA-N 1 3 309.457 3.180 20 30 DGEDHO N#CCC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000366892128 434529024 /nfs/dbraw/zinc/52/90/24/434529024.db2.gz YLIGWVOGUOAOSK-CEXWTWQISA-N 1 3 309.457 3.180 20 30 DGEDHO C=CCOc1cccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000570437251 435618990 /nfs/dbraw/zinc/61/89/90/435618990.db2.gz PLBZMXRPSHVPRH-LJQANCHMSA-N 1 3 314.473 3.415 20 30 DGEDHO C=CCOc1cccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000570437251 435618994 /nfs/dbraw/zinc/61/89/94/435618994.db2.gz PLBZMXRPSHVPRH-LJQANCHMSA-N 1 3 314.473 3.415 20 30 DGEDHO C=C(C)COCCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508701563 340251084 /nfs/dbraw/zinc/25/10/84/340251084.db2.gz XDBHDFVRSUDSNW-IEBWSBKVSA-N 1 3 302.462 3.079 20 30 DGEDHO C=C(C)COCCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508701563 340251085 /nfs/dbraw/zinc/25/10/85/340251085.db2.gz XDBHDFVRSUDSNW-IEBWSBKVSA-N 1 3 302.462 3.079 20 30 DGEDHO COc1cc(CN[C@H](CCC[NH3+])c2ccccc2)ccc1C#N ZINC000415051961 533903550 /nfs/dbraw/zinc/90/35/50/533903550.db2.gz KGHMRIXFNKVKFK-GOSISDBHSA-N 1 3 309.413 3.137 20 30 DGEDHO C=CCOCC[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000339022627 526772662 /nfs/dbraw/zinc/77/26/62/526772662.db2.gz QLVRUUIRIOXOHD-UXHICEINSA-N 1 3 314.473 3.176 20 30 DGEDHO C=CCOCC[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000339022627 526772663 /nfs/dbraw/zinc/77/26/63/526772663.db2.gz QLVRUUIRIOXOHD-UXHICEINSA-N 1 3 314.473 3.176 20 30 DGEDHO C=CCOc1ccc(CN2CCC(CC[NH2+]C)CC2)cc1OC ZINC000346683590 526865194 /nfs/dbraw/zinc/86/51/94/526865194.db2.gz PFRPFDMMCAEKRR-UHFFFAOYSA-N 1 3 318.461 3.082 20 30 DGEDHO C=CCOc1cccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357059180 526897194 /nfs/dbraw/zinc/89/71/94/526897194.db2.gz WMHWTQWFBQDHFY-SFHVURJKSA-N 1 3 300.446 3.073 20 30 DGEDHO C=CCOc1cccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357059178 526898912 /nfs/dbraw/zinc/89/89/12/526898912.db2.gz WMHWTQWFBQDHFY-GOSISDBHSA-N 1 3 300.446 3.073 20 30 DGEDHO CN(c1ccccc1C=NNC1CCCC1)C1CC[NH+](C)CC1 ZINC000727651701 576136163 /nfs/dbraw/zinc/13/61/63/576136163.db2.gz MFKHESSOAAURAN-UHFFFAOYSA-N 1 3 314.477 3.083 20 30 DGEDHO C#CCOc1ccc(CNCc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000113336035 620904341 /nfs/dbraw/zinc/90/43/41/620904341.db2.gz QQNNIMRVCJHLGE-UHFFFAOYSA-N 1 3 322.452 3.440 20 30 DGEDHO C#CCOc1ccc(CNCc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000113336035 620904344 /nfs/dbraw/zinc/90/43/44/620904344.db2.gz QQNNIMRVCJHLGE-UHFFFAOYSA-N 1 3 322.452 3.440 20 30 DGEDHO C=C(C)CC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603773 621007259 /nfs/dbraw/zinc/00/72/59/621007259.db2.gz OBTOTJPUAXHXMP-IBGZPJMESA-N 1 3 317.477 3.341 20 30 DGEDHO C=C(C)CC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603773 621007261 /nfs/dbraw/zinc/00/72/61/621007261.db2.gz OBTOTJPUAXHXMP-IBGZPJMESA-N 1 3 317.477 3.341 20 30 DGEDHO C[C@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000873234993 623085786 /nfs/dbraw/zinc/08/57/86/623085786.db2.gz JQIQFRBCDLXSBA-QFBILLFUSA-N 1 3 323.440 3.200 20 30 DGEDHO C#Cc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000809601496 626924598 /nfs/dbraw/zinc/92/45/98/626924598.db2.gz CRZBJVCCHKWCSG-UHFFFAOYSA-N 1 3 304.437 3.422 20 30 DGEDHO CSc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1C#N ZINC000886689865 627191163 /nfs/dbraw/zinc/19/11/63/627191163.db2.gz JFIFDMLMIOAKFH-BRWVUGGUSA-N 1 3 315.486 3.243 20 30 DGEDHO CSc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1C#N ZINC000886689865 627191165 /nfs/dbraw/zinc/19/11/65/627191165.db2.gz JFIFDMLMIOAKFH-BRWVUGGUSA-N 1 3 315.486 3.243 20 30 DGEDHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000817961716 627976911 /nfs/dbraw/zinc/97/69/11/627976911.db2.gz ATDDFUFCJRDVHS-CABCVRRESA-N 1 3 309.413 3.459 20 30 DGEDHO CCN(CC)c1ccc(/C=[NH+]/C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([O-])c1 ZINC000840707913 630350647 /nfs/dbraw/zinc/35/06/47/630350647.db2.gz BDALNHDBEOBZCB-MMZRIFEVSA-N 1 3 315.461 3.283 20 30 DGEDHO CCN(CC)c1ccc(/C=[NH+]/C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([O-])c1 ZINC000840707913 630350648 /nfs/dbraw/zinc/35/06/48/630350648.db2.gz BDALNHDBEOBZCB-MMZRIFEVSA-N 1 3 315.461 3.283 20 30 DGEDHO CCc1ccc(NC(=[NH2+])NC[C@H](C)N2CCCC[C@@H]2C)cc1 ZINC000303911929 657698551 /nfs/dbraw/zinc/69/85/51/657698551.db2.gz ZXZMIDVGCZMKGO-GJZGRUSLSA-N 1 3 302.466 3.239 20 30 DGEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CN(C)CCC)C1 ZINC001692132152 1200942018 /nfs/dbraw/zinc/94/20/18/1200942018.db2.gz QTKLBYPVZRPMBQ-ZWKOTPCHSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)N(CC)CC ZINC001725242217 1204125969 /nfs/dbraw/zinc/12/59/69/1204125969.db2.gz NQQINKVHLNRADE-QZTJIDSGSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)N(CC)CC ZINC001725242217 1204125970 /nfs/dbraw/zinc/12/59/70/1204125970.db2.gz NQQINKVHLNRADE-QZTJIDSGSA-N 1 3 323.525 3.044 20 30 DGEDHO CN1CCC[C@H]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170361955 1082353097 /nfs/dbraw/zinc/35/30/97/1082353097.db2.gz KVVLCFYOASMNFJ-GPJFCIFZSA-N 1 3 311.473 3.464 20 30 DGEDHO CC(C)[Si](C#CN[C@H](C)[C@H]1C[NH2+]CCO1)(C(C)C)C(C)C ZINC001170568422 1082685630 /nfs/dbraw/zinc/68/56/30/1082685630.db2.gz ONCFGSCXBBWTMN-IAGOWNOFSA-N 1 3 310.558 3.132 20 30 DGEDHO C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001170751819 1083291908 /nfs/dbraw/zinc/29/19/08/1083291908.db2.gz VYPTWPSPEVBGAK-QZTJIDSGSA-N 1 3 323.525 3.090 20 30 DGEDHO C[NH+](C)CCCOc1ccc(CN2CCC[C@H](C#N)CC2)cc1 ZINC001204270668 1090937420 /nfs/dbraw/zinc/93/74/20/1090937420.db2.gz XYPKLKFOBQBUAD-KRWDZBQOSA-N 1 3 315.461 3.143 20 30 DGEDHO C=CCc1cccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1[O-] ZINC001138629745 1091263136 /nfs/dbraw/zinc/26/31/36/1091263136.db2.gz IGNKDIOFMNXRLM-UHFFFAOYSA-N 1 3 314.473 3.429 20 30 DGEDHO C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155225964 1092124739 /nfs/dbraw/zinc/12/47/39/1092124739.db2.gz DDKLAGBYNGMMMR-QZTJIDSGSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155225964 1092124741 /nfs/dbraw/zinc/12/47/41/1092124741.db2.gz DDKLAGBYNGMMMR-QZTJIDSGSA-N 1 3 323.525 3.044 20 30 DGEDHO Cc1cc(N2CCN(CCCc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC001208854626 1092547014 /nfs/dbraw/zinc/54/70/14/1092547014.db2.gz RQGDLZZQDAOAMH-UHFFFAOYSA-N 1 3 320.440 3.017 20 30 DGEDHO Cc1cc(N2CCN(CCCc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC001208864610 1092551920 /nfs/dbraw/zinc/55/19/20/1092551920.db2.gz XNZOKWMDEQNNEN-UHFFFAOYSA-N 1 3 320.440 3.017 20 30 DGEDHO CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135705733 1094647343 /nfs/dbraw/zinc/64/73/43/1094647343.db2.gz ILQOGOPSABGLOR-IRXDYDNUSA-N 1 3 313.530 3.172 20 30 DGEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001337087226 1094847802 /nfs/dbraw/zinc/84/78/02/1094847802.db2.gz PYXZECARFKPTLG-INIZCTEOSA-N 1 3 321.852 3.081 20 30 DGEDHO C=CCCCCC[C@H](N)C(=O)N[C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001221394811 1095257025 /nfs/dbraw/zinc/25/70/25/1095257025.db2.gz IFOIEJBWPJJUDM-KSZLIROESA-N 1 3 323.525 3.219 20 30 DGEDHO C=CCn1cc(CN2CCCC3(CCCC[NH2+]C3)CCC2)cn1 ZINC001222114495 1095440936 /nfs/dbraw/zinc/44/09/36/1095440936.db2.gz YUQFGDWXBBUVFJ-UHFFFAOYSA-N 1 3 316.493 3.205 20 30 DGEDHO C=CCOc1ccc(CN2CCC[C@@]23CCC[NH2+]CC3)cc1 ZINC001222308066 1095541956 /nfs/dbraw/zinc/54/19/56/1095541956.db2.gz GUQZMPCEQVOWJN-LJQANCHMSA-N 1 3 300.446 3.360 20 30 DGEDHO CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001340216183 1095909385 /nfs/dbraw/zinc/90/93/85/1095909385.db2.gz QROTVARVXRJTPR-IAGOWNOFSA-N 1 3 311.514 3.007 20 30 DGEDHO CCCCCCCC[C@@H](N)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340982095 1096085211 /nfs/dbraw/zinc/08/52/11/1096085211.db2.gz DTMSVBZBQDVATD-MRXNPFEDSA-N 1 3 303.450 3.306 20 30 DGEDHO CCCCCCC[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001227833299 1096997146 /nfs/dbraw/zinc/99/71/46/1096997146.db2.gz VURPTZQVUDDXTN-UHFFFAOYSA-N 1 3 323.525 3.022 20 30 DGEDHO C=CC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccccc1 ZINC001172248687 1097090416 /nfs/dbraw/zinc/09/04/16/1097090416.db2.gz DPYGWRWNGKPZAB-LJQANCHMSA-N 1 3 302.462 3.394 20 30 DGEDHO C[C@H](Cc1ccc(C#N)cc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001172297529 1097109046 /nfs/dbraw/zinc/10/90/46/1097109046.db2.gz FZNPXTKOWCGZPG-UZLBHIALSA-N 1 3 311.473 3.343 20 30 DGEDHO C[C@H](Cc1ccc(C#N)cc1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001172297529 1097109052 /nfs/dbraw/zinc/10/90/52/1097109052.db2.gz FZNPXTKOWCGZPG-UZLBHIALSA-N 1 3 311.473 3.343 20 30 DGEDHO COc1ccccc1CC1([NH3+])CCN([C@@H](C)CCCC#N)CC1 ZINC001172493532 1097169049 /nfs/dbraw/zinc/16/90/49/1097169049.db2.gz UKVWPZYYLWXVCV-INIZCTEOSA-N 1 3 315.461 3.113 20 30 DGEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CCCCCC ZINC001229173810 1097270501 /nfs/dbraw/zinc/27/05/01/1097270501.db2.gz IXDONICQEJRMSF-QZTJIDSGSA-N 1 3 323.525 3.092 20 30 DGEDHO CCN([C@H]1CCOC1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173600155 1097469373 /nfs/dbraw/zinc/46/93/73/1097469373.db2.gz WGPPROIIZABDMS-AVAKVYKDSA-N 1 3 319.493 3.034 20 30 DGEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001175574556 1098101529 /nfs/dbraw/zinc/10/15/29/1098101529.db2.gz XZYAQNWEAIIMKO-MSOLQXFVSA-N 1 3 323.525 3.090 20 30 DGEDHO CCCCCCC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902529 1098967929 /nfs/dbraw/zinc/96/79/29/1098967929.db2.gz VMWNWBCJQZYTMG-WMZOPIPTSA-N 1 3 323.525 3.020 20 30 DGEDHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(C#Cc4ccccc4)cc3)C[C@H]12 ZINC001236821485 1099805828 /nfs/dbraw/zinc/80/58/28/1099805828.db2.gz VCQRNQPVEXRXDD-BHIFYINESA-N 1 3 316.448 3.256 20 30 DGEDHO CCCCCCC[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001202496087 1103802833 /nfs/dbraw/zinc/80/28/33/1103802833.db2.gz NWFSLFMXHJEYRE-KRWDZBQOSA-N 1 3 323.525 3.022 20 30 DGEDHO CCCCCCCCCC[C@@H](O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246035529 1104356267 /nfs/dbraw/zinc/35/62/67/1104356267.db2.gz SNZGGJREWATIQI-GUDVDZBRSA-N 1 3 310.526 3.419 20 30 DGEDHO CC(C)(C)[C@H]1C[C@H](NCCCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246328307 1104492760 /nfs/dbraw/zinc/49/27/60/1104492760.db2.gz KZQZMANGPOWFMS-SJLPKXTDSA-N 1 3 315.461 3.083 20 30 DGEDHO CC[C@@H](CC#N)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162061 1106195127 /nfs/dbraw/zinc/19/51/27/1106195127.db2.gz GCXYBFABAPIAQU-FHWLQOOXSA-N 1 3 310.445 3.322 20 30 DGEDHO CCc1cccc(NC(=[NH2+])NCc2cccc(CN(C)C)c2)c1 ZINC000104171751 432015022 /nfs/dbraw/zinc/01/50/22/432015022.db2.gz IOFIGFNYLDJIBF-UHFFFAOYSA-N 1 3 310.445 3.237 20 30 DGEDHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000181616351 299290874 /nfs/dbraw/zinc/29/08/74/299290874.db2.gz OGDNMHPVDKOTTB-ULQDDVLXSA-N 1 3 315.461 3.098 20 30 DGEDHO Cc1cc(C[NH2+]CC2CCN(c3ccncc3)CC2)ccc1C#N ZINC000443999448 239249037 /nfs/dbraw/zinc/24/90/37/239249037.db2.gz UCMWOCVELJYSFC-UHFFFAOYSA-N 1 3 320.440 3.268 20 30 DGEDHO CN1CCC[C@@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CC[C@@H]21 ZINC000135292838 432109747 /nfs/dbraw/zinc/10/97/47/432109747.db2.gz KXPORJKEZMZHQY-MJGOQNOKSA-N 1 3 311.473 3.404 20 30 DGEDHO CN1CCC[C@@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CC[C@@H]21 ZINC000135292838 432109750 /nfs/dbraw/zinc/10/97/50/432109750.db2.gz KXPORJKEZMZHQY-MJGOQNOKSA-N 1 3 311.473 3.404 20 30 DGEDHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(C)C#N)c1 ZINC000471921505 244266935 /nfs/dbraw/zinc/26/69/35/244266935.db2.gz JGXCHTQYUMYZEY-OAHLLOKOSA-N 1 3 301.434 3.084 20 30 DGEDHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(C)C#N)c1 ZINC000471921505 244266938 /nfs/dbraw/zinc/26/69/38/244266938.db2.gz JGXCHTQYUMYZEY-OAHLLOKOSA-N 1 3 301.434 3.084 20 30 DGEDHO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000347928871 533444319 /nfs/dbraw/zinc/44/43/19/533444319.db2.gz JJSYOPKKYVXVBY-APWZRJJASA-N 1 3 311.473 3.495 20 30 DGEDHO N#Cc1ccc(CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000595388089 400138184 /nfs/dbraw/zinc/13/81/84/400138184.db2.gz UISRXPQEJQMHHJ-ICSRJNTNSA-N 1 3 309.457 3.049 20 30 DGEDHO N#Cc1ccc(CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000595388089 400138185 /nfs/dbraw/zinc/13/81/85/400138185.db2.gz UISRXPQEJQMHHJ-ICSRJNTNSA-N 1 3 309.457 3.049 20 30 DGEDHO C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000595429903 400147051 /nfs/dbraw/zinc/14/70/51/400147051.db2.gz IGXFZCVGQLAYNS-QFBILLFUSA-N 1 3 311.473 3.343 20 30 DGEDHO CN(Cc1ccc(C#N)cc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000611254327 400365179 /nfs/dbraw/zinc/36/51/79/400365179.db2.gz JWMVJHLYSSLLQS-UHFFFAOYSA-N 1 3 323.440 3.131 20 30 DGEDHO C[C@H](CC1(C#N)CCOCC1)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000602515450 400485114 /nfs/dbraw/zinc/48/51/14/400485114.db2.gz VMRHVEXDXMAILY-KZNAEPCWSA-N 1 3 321.509 3.043 20 30 DGEDHO N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000591578292 400541080 /nfs/dbraw/zinc/54/10/80/400541080.db2.gz MUVWSXFUAUTNSX-HXUWFJFHSA-N 1 3 303.409 3.329 20 30 DGEDHO CN1CCC[C@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CC[C@H]21 ZINC000597030196 400543288 /nfs/dbraw/zinc/54/32/88/400543288.db2.gz QVBTZQSBCNWKIX-PKOBYXMFSA-N 1 3 309.457 3.158 20 30 DGEDHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)CC[C@H]21 ZINC000597030196 400543290 /nfs/dbraw/zinc/54/32/90/400543290.db2.gz QVBTZQSBCNWKIX-PKOBYXMFSA-N 1 3 309.457 3.158 20 30 DGEDHO CN1CCC([C@@H]2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000597133400 400565981 /nfs/dbraw/zinc/56/59/81/400565981.db2.gz TWZCZHDOLUJMGM-LJQANCHMSA-N 1 3 323.484 3.405 20 30 DGEDHO CN1CCC([C@@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000597133400 400565987 /nfs/dbraw/zinc/56/59/87/400565987.db2.gz TWZCZHDOLUJMGM-LJQANCHMSA-N 1 3 323.484 3.405 20 30 DGEDHO N#CCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000342724108 229117625 /nfs/dbraw/zinc/11/76/25/229117625.db2.gz DIIXINRUXDWBKS-ICSRJNTNSA-N 1 3 309.457 3.201 20 30 DGEDHO N#CCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000342724108 229117628 /nfs/dbraw/zinc/11/76/28/229117628.db2.gz DIIXINRUXDWBKS-ICSRJNTNSA-N 1 3 309.457 3.201 20 30 DGEDHO C#CCCOc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000113315186 431342399 /nfs/dbraw/zinc/34/23/99/431342399.db2.gz OCRVYLZJZAHKGG-UHFFFAOYSA-N 1 3 300.446 3.051 20 30 DGEDHO C[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)CN1CCCCC1 ZINC000194190962 432530920 /nfs/dbraw/zinc/53/09/20/432530920.db2.gz KOCPVPYKTXWZAI-SJORKVTESA-N 1 3 315.461 3.362 20 30 DGEDHO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)CN1CCCCC1 ZINC000194190945 432531340 /nfs/dbraw/zinc/53/13/40/432531340.db2.gz KOCPVPYKTXWZAI-IRXDYDNUSA-N 1 3 315.461 3.362 20 30 DGEDHO CC[C@H](NC1CC[NH+](CCCOC)CC1)c1ccc(C#N)cc1 ZINC000278863061 432909774 /nfs/dbraw/zinc/90/97/74/432909774.db2.gz WKWLIQXFYQQYGA-IBGZPJMESA-N 1 3 315.461 3.100 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449546974 433751374 /nfs/dbraw/zinc/75/13/74/433751374.db2.gz GDRBJMQCXFMDPD-NQYYFHDYSA-N 1 3 306.494 3.353 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000449546974 433751381 /nfs/dbraw/zinc/75/13/81/433751381.db2.gz GDRBJMQCXFMDPD-NQYYFHDYSA-N 1 3 306.494 3.353 20 30 DGEDHO C#CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000294328378 434086645 /nfs/dbraw/zinc/08/66/45/434086645.db2.gz XMRGGFNPXNIXHT-FQEVSTJZSA-N 1 3 305.425 3.405 20 30 DGEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000366659917 434476287 /nfs/dbraw/zinc/47/62/87/434476287.db2.gz BNOAHOMXLXSCFZ-APWZRJJASA-N 1 3 306.494 3.354 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000411789370 434828178 /nfs/dbraw/zinc/82/81/78/434828178.db2.gz NHANCKKSGRAJOV-UXHICEINSA-N 1 3 314.473 3.496 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(CN2CCCCC2)c1 ZINC000411789370 434828185 /nfs/dbraw/zinc/82/81/85/434828185.db2.gz NHANCKKSGRAJOV-UXHICEINSA-N 1 3 314.473 3.496 20 30 DGEDHO C=CCOc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000666952251 436314645 /nfs/dbraw/zinc/31/46/45/436314645.db2.gz MORQXXODEOSYIQ-MRXNPFEDSA-N 1 3 306.837 3.137 20 30 DGEDHO C=C(C)COCCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508701565 340250997 /nfs/dbraw/zinc/25/09/97/340250997.db2.gz XDBHDFVRSUDSNW-PKOBYXMFSA-N 1 3 302.462 3.079 20 30 DGEDHO C=C(C)COCCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508701565 340250998 /nfs/dbraw/zinc/25/09/98/340250998.db2.gz XDBHDFVRSUDSNW-PKOBYXMFSA-N 1 3 302.462 3.079 20 30 DGEDHO C=CCC[C@@H](O)CN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000685412697 549755773 /nfs/dbraw/zinc/75/57/73/549755773.db2.gz YSXHLVGOHMHQAY-IAGOWNOFSA-N 1 3 322.518 3.137 20 30 DGEDHO C=CCC[C@@H](O)CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000685412697 549755775 /nfs/dbraw/zinc/75/57/75/549755775.db2.gz YSXHLVGOHMHQAY-IAGOWNOFSA-N 1 3 322.518 3.137 20 30 DGEDHO C=CCC[C@H](O)CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000685412698 549755933 /nfs/dbraw/zinc/75/59/33/549755933.db2.gz YSXHLVGOHMHQAY-IRXDYDNUSA-N 1 3 322.518 3.137 20 30 DGEDHO C=CCC[C@H](O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000685412698 549755935 /nfs/dbraw/zinc/75/59/35/549755935.db2.gz YSXHLVGOHMHQAY-IRXDYDNUSA-N 1 3 322.518 3.137 20 30 DGEDHO CCCCN1CCCC[C@H]1CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000104181564 617962867 /nfs/dbraw/zinc/96/28/67/617962867.db2.gz OQDTZQWAMGPMJA-INIZCTEOSA-N 1 3 318.465 3.076 20 30 DGEDHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902750017 619670032 /nfs/dbraw/zinc/67/00/32/619670032.db2.gz YKDKXJNPLLIPBZ-HZPDHXFCSA-N 1 3 300.450 3.116 20 30 DGEDHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902750017 619670034 /nfs/dbraw/zinc/67/00/34/619670034.db2.gz YKDKXJNPLLIPBZ-HZPDHXFCSA-N 1 3 300.450 3.116 20 30 DGEDHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902750015 619670040 /nfs/dbraw/zinc/67/00/40/619670040.db2.gz YKDKXJNPLLIPBZ-CVEARBPZSA-N 1 3 300.450 3.116 20 30 DGEDHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902750015 619670042 /nfs/dbraw/zinc/67/00/42/619670042.db2.gz YKDKXJNPLLIPBZ-CVEARBPZSA-N 1 3 300.450 3.116 20 30 DGEDHO C[C@H](NC1CCC([NH+]2CCCCC2)CC1)c1cc(C#N)ccn1 ZINC000902836139 619682083 /nfs/dbraw/zinc/68/20/83/619682083.db2.gz SVGHHWLJUIAVFY-ZLPCBKJTSA-N 1 3 312.461 3.401 20 30 DGEDHO CC(C)[NH+]1CCC(CCN[C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000903077505 619712250 /nfs/dbraw/zinc/71/22/50/619712250.db2.gz KKSZANLQWRAQTH-HNNXBMFYSA-N 1 3 300.450 3.114 20 30 DGEDHO N#Cc1ccc2c(c1)C[C@@H](NC1CC[NH+](C3CCCCC3)CC1)C2 ZINC000865846932 622006648 /nfs/dbraw/zinc/00/66/48/622006648.db2.gz BGLKTIHZWQFFTF-FQEVSTJZSA-N 1 3 323.484 3.412 20 30 DGEDHO N#Cc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)C2 ZINC000865846932 622006649 /nfs/dbraw/zinc/00/66/49/622006649.db2.gz BGLKTIHZWQFFTF-FQEVSTJZSA-N 1 3 323.484 3.412 20 30 DGEDHO CC[NH+](CC)CCC[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877141616 623805179 /nfs/dbraw/zinc/80/51/79/623805179.db2.gz BBQVHXCFAQEXGP-CYBMUJFWSA-N 1 3 308.857 3.207 20 30 DGEDHO C[C@H](CC(C)(C)C#N)NCc1ccccc1OCC[NH+](C)C ZINC000924861796 627688571 /nfs/dbraw/zinc/68/85/71/627688571.db2.gz LZXHCCLOZCFHHD-OAHLLOKOSA-N 1 3 303.450 3.045 20 30 DGEDHO N#Cc1ccc(F)c(C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)c1 ZINC000925814700 627798991 /nfs/dbraw/zinc/79/89/91/627798991.db2.gz ONRNEHWWDQXZFB-PKOBYXMFSA-N 1 3 309.388 3.280 20 30 DGEDHO CC(C)(C)NCC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849101217 631836139 /nfs/dbraw/zinc/83/61/39/631836139.db2.gz WIUDNGCMHKAVMA-UHFFFAOYSA-N 1 3 302.466 3.329 20 30 DGEDHO CC[C@H](CNC(=[NH2+])Nc1ccc(OC(C)C)cc1)N1CCCC1 ZINC000303880373 657572061 /nfs/dbraw/zinc/57/20/61/657572061.db2.gz HDHQTTQGUMHEIW-MRXNPFEDSA-N 1 3 318.465 3.075 20 30 DGEDHO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)N1CCC[C@H](C)C1 ZINC000303910701 657578093 /nfs/dbraw/zinc/57/80/93/657578093.db2.gz ZCXHZDRIUFYYSM-LSDHHAIUSA-N 1 3 314.477 3.022 20 30 DGEDHO C#CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000175011003 659914877 /nfs/dbraw/zinc/91/48/77/659914877.db2.gz YSVVVPXODQADDD-MSOLQXFVSA-N 1 3 300.446 3.051 20 30 DGEDHO N#CCCCOc1cccc(C[NH2+]CCCN2CCCCC2)c1 ZINC000237819079 659943461 /nfs/dbraw/zinc/94/34/61/659943461.db2.gz JHKCKKVPHQSZNG-UHFFFAOYSA-N 1 3 315.461 3.335 20 30 DGEDHO C[C@H]1CCCC[C@]1(CN)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC001576690041 1191862534 /nfs/dbraw/zinc/86/25/34/1191862534.db2.gz HYXMKESZNRXAQF-SUMWQHHRSA-N 1 3 321.852 3.240 20 30 DGEDHO C[C@@H]1CCCC[C@@]1(CN)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC001576690039 1191863259 /nfs/dbraw/zinc/86/32/59/1191863259.db2.gz HYXMKESZNRXAQF-DYVFJYSZSA-N 1 3 321.852 3.240 20 30 DGEDHO N#Cc1cc(Cl)cc(CN2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001331995865 1178331987 /nfs/dbraw/zinc/33/19/87/1178331987.db2.gz HTCUVDBCZGWBCF-UHFFFAOYSA-N 1 3 303.837 3.177 20 30 DGEDHO CCCCCCCC[C@@H](N)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001353622837 1180607723 /nfs/dbraw/zinc/60/77/23/1180607723.db2.gz LQSOHUXSUNKNRM-QGZVFWFLSA-N 1 3 323.525 3.057 20 30 DGEDHO C=CCC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001505920272 1186163696 /nfs/dbraw/zinc/16/36/96/1186163696.db2.gz JHNVYGZYZDSCDE-IAGOWNOFSA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001505920272 1186163697 /nfs/dbraw/zinc/16/36/97/1186163697.db2.gz JHNVYGZYZDSCDE-IAGOWNOFSA-N 1 3 323.525 3.042 20 30 DGEDHO C=C(C)C[N@@H+](CCNC(=O)[C@@H](CC)N(C)C)C1CCCCCC1 ZINC001569451266 1190700721 /nfs/dbraw/zinc/70/07/21/1190700721.db2.gz VNSFUICRWFOVIN-GOSISDBHSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)C[N@H+](CCNC(=O)[C@@H](CC)N(C)C)C1CCCCCC1 ZINC001569451266 1190700722 /nfs/dbraw/zinc/70/07/22/1190700722.db2.gz VNSFUICRWFOVIN-GOSISDBHSA-N 1 3 323.525 3.044 20 30 DGEDHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])Nc1ccc(C)cc1 ZINC000303905527 1199601313 /nfs/dbraw/zinc/60/13/13/1199601313.db2.gz ZMJHUJLLYDVLDF-QGZVFWFLSA-N 1 3 302.466 3.376 20 30 DGEDHO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1CCCC ZINC001156306667 1089471330 /nfs/dbraw/zinc/47/13/30/1089471330.db2.gz URMBBZKEBJDVGY-QZTJIDSGSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1CCCC ZINC001156306667 1089471339 /nfs/dbraw/zinc/47/13/39/1089471339.db2.gz URMBBZKEBJDVGY-QZTJIDSGSA-N 1 3 323.525 3.044 20 30 DGEDHO C[NH+](C)CCCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC001204268983 1090937459 /nfs/dbraw/zinc/93/74/59/1090937459.db2.gz RLIYYSSNSNNQCQ-KRWDZBQOSA-N 1 3 315.461 3.143 20 30 DGEDHO Cc1c[nH+]ccc1N1CCN(CCCc2cccc(C#N)c2)CC1 ZINC001208854239 1092544822 /nfs/dbraw/zinc/54/48/22/1092544822.db2.gz LRVOEVSGTNMETQ-UHFFFAOYSA-N 1 3 320.440 3.017 20 30 DGEDHO C[NH+]1CCC2(CCN(Cc3c[nH]c4cc(C#N)ccc34)CC2)CC1 ZINC001142925914 1092586088 /nfs/dbraw/zinc/58/60/88/1092586088.db2.gz FXPVBVILVLKIFQ-UHFFFAOYSA-N 1 3 322.456 3.347 20 30 DGEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001210182609 1093070423 /nfs/dbraw/zinc/07/04/23/1093070423.db2.gz ILPFBBGKMKJDHD-GOSISDBHSA-N 1 3 323.525 3.045 20 30 DGEDHO C=CCCCCC[C@H](N)C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218995901 1094921815 /nfs/dbraw/zinc/92/18/15/1094921815.db2.gz TXFWKXFHPGMOPM-WMZOPIPTSA-N 1 3 315.461 3.166 20 30 DGEDHO C=C(C)CC[NH2+]C1(CNC(=O)C(C)(C)N(C)CC)CCCCC1 ZINC001115601457 1095295616 /nfs/dbraw/zinc/29/56/16/1095295616.db2.gz BKMWBLNFSMJCLH-UHFFFAOYSA-N 1 3 323.525 3.092 20 30 DGEDHO CCCCCCCCN1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222215966 1095496287 /nfs/dbraw/zinc/49/62/87/1095496287.db2.gz QDMPCLRWGMPGMH-QGZVFWFLSA-N 1 3 324.509 3.354 20 30 DGEDHO COc1ccc(CC2([NH3+])CCN([C@H](C)CCCC#N)CC2)cc1 ZINC001172491871 1097167851 /nfs/dbraw/zinc/16/78/51/1097167851.db2.gz KJYZMSNYRNOODW-MRXNPFEDSA-N 1 3 315.461 3.113 20 30 DGEDHO COc1cc(C#N)ccc1CN(C)CC1CC[NH+](C(C)C)CC1 ZINC001231618262 1097792843 /nfs/dbraw/zinc/79/28/43/1097792843.db2.gz CXMIFOKJZDDPAC-UHFFFAOYSA-N 1 3 315.461 3.119 20 30 DGEDHO C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001179745829 1099197827 /nfs/dbraw/zinc/19/78/27/1099197827.db2.gz IQWLUMIFRMLGMF-GOSISDBHSA-N 1 3 323.525 3.092 20 30 DGEDHO CCCCCCCCCC[C@@H](O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246035527 1104356515 /nfs/dbraw/zinc/35/65/15/1104356515.db2.gz SNZGGJREWATIQI-CEXWTWQISA-N 1 3 310.526 3.419 20 30 DGEDHO CCCCCCCCCC[C@H](O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246035533 1104356542 /nfs/dbraw/zinc/35/65/42/1104356542.db2.gz SNZGGJREWATIQI-QYZOEREBSA-N 1 3 310.526 3.419 20 30 DGEDHO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246039516 1104358212 /nfs/dbraw/zinc/35/82/12/1104358212.db2.gz NEHHQIXEYYRGSI-OKZBNKHCSA-N 1 3 314.489 3.121 20 30 DGEDHO CCCCCCCC[C@H](O)C[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246039516 1104358223 /nfs/dbraw/zinc/35/82/23/1104358223.db2.gz NEHHQIXEYYRGSI-OKZBNKHCSA-N 1 3 314.489 3.121 20 30 DGEDHO C#Cc1cccc(C[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246260884 1104464261 /nfs/dbraw/zinc/46/42/61/1104464261.db2.gz BVIUHBCTHJVDJH-SFTDATJTSA-N 1 3 304.437 3.121 20 30 DGEDHO CC[C@@H]1C[C@@H](NCCCOc2cccc(C#N)c2)C[C@H](CC)[NH2+]1 ZINC001246331466 1104494586 /nfs/dbraw/zinc/49/45/86/1104494586.db2.gz XHCYHZXTFLVJRE-BCDXTJNWSA-N 1 3 315.461 3.226 20 30 DGEDHO CCCCCCC[C@@H](CC)[NH2+]C1(CC(=O)OC)CCNCC1 ZINC001246366090 1104511713 /nfs/dbraw/zinc/51/17/13/1104511713.db2.gz QGXSIIDTYUJISH-MRXNPFEDSA-N 1 3 312.498 3.400 20 30 DGEDHO CCCCCCC[C@@H](CC(C)C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246420088 1104534406 /nfs/dbraw/zinc/53/44/06/1104534406.db2.gz WODUOGAJLNTWFN-IRXDYDNUSA-N 1 3 313.530 3.334 20 30 DGEDHO C[C@@H]1CC[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C[C@@H]1N ZINC001246564209 1104597647 /nfs/dbraw/zinc/59/76/47/1104597647.db2.gz DIRJVMMDVGQWQD-SIBREGTBSA-N 1 3 315.436 3.199 20 30 DGEDHO C[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C[C@@H]1N ZINC001246564209 1104597659 /nfs/dbraw/zinc/59/76/59/1104597659.db2.gz DIRJVMMDVGQWQD-SIBREGTBSA-N 1 3 315.436 3.199 20 30 DGEDHO CCCCCCC[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001275131307 1104636737 /nfs/dbraw/zinc/63/67/37/1104636737.db2.gz OUZHCSNWTBYRJI-UHFFFAOYSA-N 1 3 318.509 3.251 20 30 DGEDHO N#Cc1ccc(CC2CC[NH+]([C@@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC001246807615 1104684048 /nfs/dbraw/zinc/68/40/48/1104684048.db2.gz SSERQSYNSLFTQG-HXUWFJFHSA-N 1 3 323.484 3.487 20 30 DGEDHO C[NH2+][C@@]12CC[C@@](NCc3c[nH]c4c3cccc4C#N)(C1)CCC2 ZINC001275368121 1104739030 /nfs/dbraw/zinc/73/90/30/1104739030.db2.gz RFRFJRUJQOPBHF-RBUKOAKNSA-N 1 3 308.429 3.194 20 30 DGEDHO C=CCC[C@@H](C)N1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001258731015 1106937101 /nfs/dbraw/zinc/93/71/01/1106937101.db2.gz TZCSMCAFAULEOM-NZSAHSFTSA-N 1 3 306.494 3.164 20 30 DGEDHO C=CCC[C@@H](C)N1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001258731015 1106937115 /nfs/dbraw/zinc/93/71/15/1106937115.db2.gz TZCSMCAFAULEOM-NZSAHSFTSA-N 1 3 306.494 3.164 20 30 DGEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001258731015 1106937128 /nfs/dbraw/zinc/93/71/28/1106937128.db2.gz TZCSMCAFAULEOM-NZSAHSFTSA-N 1 3 306.494 3.164 20 30 DGEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001258731015 1106937142 /nfs/dbraw/zinc/93/71/42/1106937142.db2.gz TZCSMCAFAULEOM-NZSAHSFTSA-N 1 3 306.494 3.164 20 30 DGEDHO C=CCCCC[C@H](C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000449230726 240079070 /nfs/dbraw/zinc/07/90/70/240079070.db2.gz BGMXZINDQLJTLH-PXNSSMCTSA-N 1 3 316.489 3.478 20 30 DGEDHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1 ZINC000245895135 296122230 /nfs/dbraw/zinc/12/22/30/296122230.db2.gz MXAPHMMMCURAHM-BRWVUGGUSA-N 1 3 315.461 3.098 20 30 DGEDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(OCC#N)cc1 ZINC000181859685 533524021 /nfs/dbraw/zinc/52/40/21/533524021.db2.gz NAFOHMYYLHNHRZ-OIISXLGYSA-N 1 3 301.434 3.112 20 30 DGEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCN(CC3CC3)C1)CC2 ZINC000596097491 400316316 /nfs/dbraw/zinc/31/63/16/400316316.db2.gz YCAOIVITJQTIEY-FXAWDEMLSA-N 1 3 309.457 3.257 20 30 DGEDHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602575286 400501634 /nfs/dbraw/zinc/50/16/34/400501634.db2.gz SBUYLFQACSDPKF-MSOLQXFVSA-N 1 3 321.509 3.043 20 30 DGEDHO CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602575286 400501636 /nfs/dbraw/zinc/50/16/36/400501636.db2.gz SBUYLFQACSDPKF-MSOLQXFVSA-N 1 3 321.509 3.043 20 30 DGEDHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602575286 400501638 /nfs/dbraw/zinc/50/16/38/400501638.db2.gz SBUYLFQACSDPKF-MSOLQXFVSA-N 1 3 321.509 3.043 20 30 DGEDHO C[C@H](CCC#N)C[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000602656165 400527676 /nfs/dbraw/zinc/52/76/76/400527676.db2.gz WPKKWSAFYFZPSU-MRXNPFEDSA-N 1 3 315.461 3.189 20 30 DGEDHO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCN(CC)C[C@H]1C)C(C)C ZINC000247029739 432194347 /nfs/dbraw/zinc/19/43/47/432194347.db2.gz MDTVLADZAXHYBN-GUDVDZBRSA-N 1 3 307.526 3.005 20 30 DGEDHO CN(C)CCOc1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000174277324 228288775 /nfs/dbraw/zinc/28/87/75/228288775.db2.gz IVWPYBCHDWAEQD-UHFFFAOYSA-N 1 3 303.450 3.047 20 30 DGEDHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000298359957 278336630 /nfs/dbraw/zinc/33/66/30/278336630.db2.gz KDFNBLLNZSGOCA-OAHLLOKOSA-N 1 3 306.413 3.273 20 30 DGEDHO COc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1C#N ZINC000123177698 431857580 /nfs/dbraw/zinc/85/75/80/431857580.db2.gz CHNGGKGAHCKJFR-UHFFFAOYSA-N 1 3 315.461 3.121 20 30 DGEDHO C=CCSCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000271483585 432405344 /nfs/dbraw/zinc/40/53/44/432405344.db2.gz NVNVHYCGMDCLAY-OAHLLOKOSA-N 1 3 308.491 3.197 20 30 DGEDHO C=CCCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000279028711 432927145 /nfs/dbraw/zinc/92/71/45/432927145.db2.gz BFJCRROXRGKDRQ-UHFFFAOYSA-N 1 3 301.478 3.273 20 30 DGEDHO C[C@@H](NCC(C)(C)CC#N)c1cccc(OCC[NH+](C)C)c1 ZINC000414168787 433437113 /nfs/dbraw/zinc/43/71/13/433437113.db2.gz RCGYYYAABUVHNT-OAHLLOKOSA-N 1 3 303.450 3.217 20 30 DGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1 ZINC000651723747 435805403 /nfs/dbraw/zinc/80/54/03/435805403.db2.gz ZZZJXAIRXQMBEQ-RTBURBONSA-N 1 3 319.537 3.271 20 30 DGEDHO C=CC[C@@H]1CC[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1 ZINC000651723744 435805426 /nfs/dbraw/zinc/80/54/26/435805426.db2.gz ZZZJXAIRXQMBEQ-MOPGFXCFSA-N 1 3 319.537 3.271 20 30 DGEDHO C=CCOc1ccccc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657812919 436313754 /nfs/dbraw/zinc/31/37/54/436313754.db2.gz WYRHJOYLIOYPPU-UHFFFAOYSA-N 1 3 314.473 3.463 20 30 DGEDHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181699675 529024948 /nfs/dbraw/zinc/02/49/48/529024948.db2.gz IWVVXWQFBLWFCZ-DLBZAZTESA-N 1 3 315.461 3.360 20 30 DGEDHO CC(C)Oc1ccc(NC(=[NH2+])NCCN2CCCCCC2)cc1 ZINC000104168411 617962684 /nfs/dbraw/zinc/96/26/84/617962684.db2.gz JGWXKGCHFYPNOL-UHFFFAOYSA-N 1 3 318.465 3.076 20 30 DGEDHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902750016 619669963 /nfs/dbraw/zinc/66/99/63/619669963.db2.gz YKDKXJNPLLIPBZ-HOTGVXAUSA-N 1 3 300.450 3.116 20 30 DGEDHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902750016 619669964 /nfs/dbraw/zinc/66/99/64/619669964.db2.gz YKDKXJNPLLIPBZ-HOTGVXAUSA-N 1 3 300.450 3.116 20 30 DGEDHO CC1([NH+]2CCC2)CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000922847365 621108124 /nfs/dbraw/zinc/10/81/24/621108124.db2.gz NQKPFDJPHSEMSE-UHFFFAOYSA-N 1 3 301.409 3.194 20 30 DGEDHO CCCCCCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000755235013 621560132 /nfs/dbraw/zinc/56/01/32/621560132.db2.gz GKDXVWRIDLGSSK-UHFFFAOYSA-N 1 3 309.542 3.306 20 30 DGEDHO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000873244246 623089705 /nfs/dbraw/zinc/08/97/05/623089705.db2.gz KORXFSXIPJGGPE-ZBFHGGJFSA-N 1 3 301.434 3.018 20 30 DGEDHO CCCN1CCC([NH2+]Cc2ccc(SC)c(C#N)c2)CC1 ZINC000886686382 627190012 /nfs/dbraw/zinc/19/00/12/627190012.db2.gz OTXWDLCVKDHJHZ-UHFFFAOYSA-N 1 3 303.475 3.244 20 30 DGEDHO C#CCOc1cccc(Cl)c1CNC1CCC([NH+](C)C)CC1 ZINC000817415969 627896953 /nfs/dbraw/zinc/89/69/53/627896953.db2.gz DGEFRRWOYRXZCX-UHFFFAOYSA-N 1 3 320.864 3.314 20 30 DGEDHO COc1cc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)ccc1C#N ZINC000926449528 627897447 /nfs/dbraw/zinc/89/74/47/627897447.db2.gz OZCXNQCKLNIXMH-HNNXBMFYSA-N 1 3 323.440 3.479 20 30 DGEDHO C#Cc1cccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000834902464 629803725 /nfs/dbraw/zinc/80/37/25/629803725.db2.gz IMVPOQDTQQPOHI-QGZVFWFLSA-N 1 3 322.452 3.459 20 30 DGEDHO CN(C)C(C)(C)C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000303775081 657560228 /nfs/dbraw/zinc/56/02/28/657560228.db2.gz GPKWWTCBQXXEIK-UHFFFAOYSA-N 1 3 302.466 3.281 20 30 DGEDHO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)N2CCCC[C@@H]2C)c1 ZINC000303882709 657572131 /nfs/dbraw/zinc/57/21/31/657572131.db2.gz IIISFKROFIPHLR-HOTGVXAUSA-N 1 3 302.466 3.293 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@H]2C)cc1C ZINC000303888537 657572741 /nfs/dbraw/zinc/57/27/41/657572741.db2.gz LMUSREKPQNRHKW-HZPDHXFCSA-N 1 3 302.466 3.293 20 30 DGEDHO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)N1CCC(C)CC1 ZINC000303898099 657575469 /nfs/dbraw/zinc/57/54/69/657575469.db2.gz VJBCMKOPMHZSAC-OAHLLOKOSA-N 1 3 314.477 3.022 20 30 DGEDHO C[NH+]=C(NCCC1=CCCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262478487 657599411 /nfs/dbraw/zinc/59/94/11/657599411.db2.gz QRVRDAZNFJOBTB-SFHVURJKSA-N 1 3 318.509 3.013 20 30 DGEDHO CCCCCCCC[C@@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001341634612 1179041326 /nfs/dbraw/zinc/04/13/26/1179041326.db2.gz QSFBGKXKDVDNIW-MSOLQXFVSA-N 1 3 323.525 3.055 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001343505918 1179288247 /nfs/dbraw/zinc/28/82/47/1179288247.db2.gz OXJLQLLMSTYBQP-KRWDZBQOSA-N 1 3 303.450 3.306 20 30 DGEDHO C=C(CC)C[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC001662652411 1196737271 /nfs/dbraw/zinc/73/72/71/1196737271.db2.gz NHULGQUGBOADRC-UHFFFAOYSA-N 1 3 301.478 3.274 20 30 DGEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001707242309 1202578013 /nfs/dbraw/zinc/57/80/13/1202578013.db2.gz VHQHAMSIYPMNFS-QZTJIDSGSA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCCCCCN1CCN(CC[NH+](CCC)CCC)CC1 ZINC001209429152 1081745921 /nfs/dbraw/zinc/74/59/21/1081745921.db2.gz VYHJREDMJHCHPM-UHFFFAOYSA-N 1 3 309.542 3.472 20 30 DGEDHO C=CCN1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132420067 1082903704 /nfs/dbraw/zinc/90/37/04/1082903704.db2.gz MHVQTCQTYZPDHH-QZTJIDSGSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001186411996 1084642168 /nfs/dbraw/zinc/64/21/68/1084642168.db2.gz GRWWFEJMPNYJKM-ZWKOTPCHSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC001186411995 1084642615 /nfs/dbraw/zinc/64/26/15/1084642615.db2.gz GRWWFEJMPNYJKM-QZTJIDSGSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001155619924 1089188267 /nfs/dbraw/zinc/18/82/67/1089188267.db2.gz CIKQKXAXJLFXQZ-MSOLQXFVSA-N 1 3 323.525 3.042 20 30 DGEDHO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001155619924 1089188273 /nfs/dbraw/zinc/18/82/73/1089188273.db2.gz CIKQKXAXJLFXQZ-MSOLQXFVSA-N 1 3 323.525 3.042 20 30 DGEDHO C[C@H]1CN(Cc2ccc(C#Cc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC001205136290 1091111118 /nfs/dbraw/zinc/11/11/18/1091111118.db2.gz WBAOPXWZJMMGTA-LAUBAEHRSA-N 1 3 304.437 3.113 20 30 DGEDHO C=CCc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1[O-] ZINC001138627866 1091260684 /nfs/dbraw/zinc/26/06/84/1091260684.db2.gz HFMZYYCHKSWACL-UHFFFAOYSA-N 1 3 300.446 3.038 20 30 DGEDHO C=CCc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1[O-] ZINC001138627866 1091260690 /nfs/dbraw/zinc/26/06/90/1091260690.db2.gz HFMZYYCHKSWACL-UHFFFAOYSA-N 1 3 300.446 3.038 20 30 DGEDHO C=CCCCCCCCCCN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491686 1095639173 /nfs/dbraw/zinc/63/91/73/1095639173.db2.gz GWMVZRXFPPVIIU-OALUTQOASA-N 1 3 307.526 3.319 20 30 DGEDHO CCCCCCCC[C@@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001340106899 1095864544 /nfs/dbraw/zinc/86/45/44/1095864544.db2.gz WOVMFPBWTBPXAS-ZWKOTPCHSA-N 1 3 323.525 3.009 20 30 DGEDHO CCCCCCCC[C@@H](N)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001341148417 1096123374 /nfs/dbraw/zinc/12/33/74/1096123374.db2.gz LJSAYOGSQZGKLU-IAGOWNOFSA-N 1 3 323.525 3.055 20 30 DGEDHO Cc1cc(N2CCN([C@H](C)Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC001172313017 1097098360 /nfs/dbraw/zinc/09/83/60/1097098360.db2.gz NQKULSLBUVQXEN-QGZVFWFLSA-N 1 3 320.440 3.015 20 30 DGEDHO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC001229231146 1097279945 /nfs/dbraw/zinc/27/99/45/1097279945.db2.gz LZFNPLVGFREOIB-QZTJIDSGSA-N 1 3 323.525 3.092 20 30 DGEDHO CCN([C@@H]1CCOC1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173337345 1097421631 /nfs/dbraw/zinc/42/16/31/1097421631.db2.gz ILMWIIBOJBSDRW-FAFZWHIHSA-N 1 3 319.493 3.034 20 30 DGEDHO C=CCOc1ccccc1CN1CCC2(CC[NH2+]CC2)CC1 ZINC001235132554 1098829270 /nfs/dbraw/zinc/82/92/70/1098829270.db2.gz HSVKPPGTYGYZME-UHFFFAOYSA-N 1 3 300.446 3.217 20 30 DGEDHO N#Cc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC001235423348 1099016497 /nfs/dbraw/zinc/01/64/97/1099016497.db2.gz GCEAVWXFSMUDNA-HOTGVXAUSA-N 1 3 317.864 3.423 20 30 DGEDHO N#Cc1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235430751 1099024214 /nfs/dbraw/zinc/02/42/14/1099024214.db2.gz XTYASOUMMJKWPY-HZPDHXFCSA-N 1 3 317.864 3.423 20 30 DGEDHO N#Cc1ccc(CC[N@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001236369550 1099555452 /nfs/dbraw/zinc/55/54/52/1099555452.db2.gz AKOSDNFNZWCDID-IBGZPJMESA-N 1 3 311.473 3.345 20 30 DGEDHO N#Cc1ccc(CC[N@@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001236369550 1099555459 /nfs/dbraw/zinc/55/54/59/1099555459.db2.gz AKOSDNFNZWCDID-IBGZPJMESA-N 1 3 311.473 3.345 20 30 DGEDHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(C#Cc4ccccc4)cc3)C[C@@H]12 ZINC001236821475 1099805472 /nfs/dbraw/zinc/80/54/72/1099805472.db2.gz VCQRNQPVEXRXDD-BHDDXSALSA-N 1 3 316.448 3.256 20 30 DGEDHO CCCCCCCCC[C@H](C)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246082399 1104376461 /nfs/dbraw/zinc/37/64/61/1104376461.db2.gz LTLLMBNRFAXLEJ-YESZJQIVSA-N 1 3 302.478 3.168 20 30 DGEDHO C#Cc1ccc(C[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246270037 1104466910 /nfs/dbraw/zinc/46/69/10/1104466910.db2.gz ZYUGWZJLQWNQPZ-SFTDATJTSA-N 1 3 304.437 3.121 20 30 DGEDHO N#Cc1ccc(C2CCC([NH2+][C@@H](C3CC3)C3CNC3)CC2)cc1 ZINC001246514567 1104573164 /nfs/dbraw/zinc/57/31/64/1104573164.db2.gz IHYBNMCZKIACAP-GQOXECLESA-N 1 3 309.457 3.172 20 30 DGEDHO C=C[C@@](C)(O)C[N@@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001252549412 1105792594 /nfs/dbraw/zinc/79/25/94/1105792594.db2.gz FBQWSGBUAGPVRF-LWYYNNOASA-N 1 3 314.473 3.034 20 30 DGEDHO C=C[C@@](C)(O)C[N@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001252549412 1105792597 /nfs/dbraw/zinc/79/25/97/1105792597.db2.gz FBQWSGBUAGPVRF-LWYYNNOASA-N 1 3 314.473 3.034 20 30 DGEDHO C=C[C@](C)(O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001252579242 1105797366 /nfs/dbraw/zinc/79/73/66/1105797366.db2.gz KDGDOBLCINZBCV-SFHVURJKSA-N 1 3 322.880 3.079 20 30 DGEDHO CN1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC001254513139 1106088706 /nfs/dbraw/zinc/08/87/06/1106088706.db2.gz AFRJCXILEMSSIG-CQSZACIVSA-N 1 3 311.351 3.151 20 30 DGEDHO N#C[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3cccs3)CC2)C1 ZINC000442798332 239128184 /nfs/dbraw/zinc/12/81/84/239128184.db2.gz WKIIKSBVLYINEG-HOTGVXAUSA-N 1 3 303.475 3.242 20 30 DGEDHO N#Cc1ccc(CN2CCC[C@@H](CC[NH3+])C2)c(C(F)(F)F)c1 ZINC000595895378 400289408 /nfs/dbraw/zinc/28/94/08/400289408.db2.gz KVTUQQYXEKAPAC-LBPRGKRZSA-N 1 3 311.351 3.138 20 30 DGEDHO C[C@@H]1C[C@H](CCNC[C@@H](C#N)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000578965934 400333770 /nfs/dbraw/zinc/33/37/70/400333770.db2.gz UADMMIZAOUGEKO-YZGWKJHDSA-N 1 3 324.472 3.320 20 30 DGEDHO C[C@@H]1C[C@H](CCNC[C@@H](C#N)CCC#N)C[N@H+]1Cc1ccccc1 ZINC000578965934 400333777 /nfs/dbraw/zinc/33/37/77/400333777.db2.gz UADMMIZAOUGEKO-YZGWKJHDSA-N 1 3 324.472 3.320 20 30 DGEDHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccc(C#N)c1 ZINC000590957388 400468821 /nfs/dbraw/zinc/46/88/21/400468821.db2.gz VALFSEPDMSPKSL-HNNXBMFYSA-N 1 3 306.413 3.273 20 30 DGEDHO C[C@@H](CC1(C#N)CCOCC1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000602515448 400484954 /nfs/dbraw/zinc/48/49/54/400484954.db2.gz VMRHVEXDXMAILY-KSZLIROESA-N 1 3 321.509 3.043 20 30 DGEDHO C[C@@H](CC1(C#N)CCOCC1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000602515448 400484957 /nfs/dbraw/zinc/48/49/57/400484957.db2.gz VMRHVEXDXMAILY-KSZLIROESA-N 1 3 321.509 3.043 20 30 DGEDHO C[C@H](CC1(C#N)CCOCC1)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000602526762 400488778 /nfs/dbraw/zinc/48/87/78/400488778.db2.gz MBUPGSXWLKVAEK-IAGOWNOFSA-N 1 3 321.509 3.185 20 30 DGEDHO C[C@H](CC1(C#N)CCOCC1)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000602526762 400488779 /nfs/dbraw/zinc/48/87/79/400488779.db2.gz MBUPGSXWLKVAEK-IAGOWNOFSA-N 1 3 321.509 3.185 20 30 DGEDHO CCCC[N@@H+]1CCCC[C@H]1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602544558 400493436 /nfs/dbraw/zinc/49/34/36/400493436.db2.gz LOIOLZXUKVSZQT-ROUUACIJSA-N 1 3 321.509 3.330 20 30 DGEDHO CCCC[N@H+]1CCCC[C@H]1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602544558 400493438 /nfs/dbraw/zinc/49/34/38/400493438.db2.gz LOIOLZXUKVSZQT-ROUUACIJSA-N 1 3 321.509 3.330 20 30 DGEDHO N#CCSCCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000074981641 400551906 /nfs/dbraw/zinc/55/19/06/400551906.db2.gz KRFSGKSIEWQCBS-UHFFFAOYSA-N 1 3 309.523 3.221 20 30 DGEDHO C=CCC1([NH2+]CCCN2CCN(C(C)C)CC2)CCCCC1 ZINC000625934261 401259144 /nfs/dbraw/zinc/25/91/44/401259144.db2.gz HHAQMWXWDSMYSW-UHFFFAOYSA-N 1 3 307.526 3.271 20 30 DGEDHO CC[NH+](CC)CCCC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191473551 165253005 /nfs/dbraw/zinc/25/30/05/165253005.db2.gz REGCHVATCWEKRO-UHFFFAOYSA-N 1 3 316.493 3.231 20 30 DGEDHO CC(C)[N@H+](C)Cc1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000190889639 432199333 /nfs/dbraw/zinc/19/93/33/432199333.db2.gz JXOLUNSRBMTTCM-UHFFFAOYSA-N 1 3 310.445 3.027 20 30 DGEDHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000190889639 432199334 /nfs/dbraw/zinc/19/93/34/432199334.db2.gz JXOLUNSRBMTTCM-UHFFFAOYSA-N 1 3 310.445 3.027 20 30 DGEDHO CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000350328156 266116233 /nfs/dbraw/zinc/11/62/33/266116233.db2.gz MQPZJYVVLDYOOF-QFBILLFUSA-N 1 3 315.461 3.052 20 30 DGEDHO CN(C)Cc1cccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)c1 ZINC000264109348 432616202 /nfs/dbraw/zinc/61/62/02/432616202.db2.gz QKDYHWYXWPMVQJ-UHFFFAOYSA-N 1 3 322.456 3.164 20 30 DGEDHO CCN1CCC[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000236863150 432769661 /nfs/dbraw/zinc/76/96/61/432769661.db2.gz BEMHSBMHGFIBOR-SFHVURJKSA-N 1 3 315.461 3.191 20 30 DGEDHO C[C@@H](NCC(C)(C)CC#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000414162144 433432401 /nfs/dbraw/zinc/43/24/01/433432401.db2.gz GMLJQHAVBJILCZ-OAHLLOKOSA-N 1 3 303.450 3.217 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449546973 433750026 /nfs/dbraw/zinc/75/00/26/433750026.db2.gz GDRBJMQCXFMDPD-AITUJVMLSA-N 1 3 306.494 3.353 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449546973 433750036 /nfs/dbraw/zinc/75/00/36/433750036.db2.gz GDRBJMQCXFMDPD-AITUJVMLSA-N 1 3 306.494 3.353 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449549167 433750524 /nfs/dbraw/zinc/75/05/24/433750524.db2.gz VHOGFSZMSCRWKH-OWYHZJEWSA-N 1 3 306.494 3.353 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449549167 433750534 /nfs/dbraw/zinc/75/05/34/433750534.db2.gz VHOGFSZMSCRWKH-OWYHZJEWSA-N 1 3 306.494 3.353 20 30 DGEDHO COc1cc(C#N)ccc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535040640 435311563 /nfs/dbraw/zinc/31/15/63/435311563.db2.gz XBGBJBMELYTSHK-UHFFFAOYSA-N 1 3 315.461 3.119 20 30 DGEDHO COc1cc(C#N)ccc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000535040640 435311569 /nfs/dbraw/zinc/31/15/69/435311569.db2.gz XBGBJBMELYTSHK-UHFFFAOYSA-N 1 3 315.461 3.119 20 30 DGEDHO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000651758566 435818476 /nfs/dbraw/zinc/81/84/76/435818476.db2.gz DZGSKHFUOKPLJR-UXPWSPDFSA-N 1 3 314.473 3.088 20 30 DGEDHO C=CCC[C@@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C1CC1 ZINC000658135510 436384938 /nfs/dbraw/zinc/38/49/38/436384938.db2.gz FDBUESLDMNQUDS-VQTJNVASSA-N 1 3 314.473 3.088 20 30 DGEDHO C=CC[C@H]1[N@H+](CCCN2CCN(C(C)C)CC2)CCCC1(C)C ZINC000501876075 340090232 /nfs/dbraw/zinc/09/02/32/340090232.db2.gz SUYIONUVSULNEC-LJQANCHMSA-N 1 3 321.553 3.469 20 30 DGEDHO C=CC[C@H]1[N@@H+](CCCN2CCN(C(C)C)CC2)CCCC1(C)C ZINC000501876075 340090233 /nfs/dbraw/zinc/09/02/33/340090233.db2.gz SUYIONUVSULNEC-LJQANCHMSA-N 1 3 321.553 3.469 20 30 DGEDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(OCC#N)cc1 ZINC000181859704 534000470 /nfs/dbraw/zinc/00/04/70/534000470.db2.gz NAFOHMYYLHNHRZ-XIRDDKMYSA-N 1 3 301.434 3.112 20 30 DGEDHO CC(C)[NH+]1CCC(N(C)CCCOc2ccc(C#N)cc2)CC1 ZINC000725798666 575915761 /nfs/dbraw/zinc/91/57/61/575915761.db2.gz LLFOISWWWWEXQX-UHFFFAOYSA-N 1 3 315.461 3.132 20 30 DGEDHO C#CCCN(CCOC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000852749769 620645756 /nfs/dbraw/zinc/64/57/56/620645756.db2.gz FSBKNIJTRWALFW-UHFFFAOYSA-N 1 3 314.473 3.144 20 30 DGEDHO CN(C)CC(C)(C)C[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000898308196 619235846 /nfs/dbraw/zinc/23/58/46/619235846.db2.gz RWGKSTJAIUSDSR-UHFFFAOYSA-N 1 3 317.477 3.389 20 30 DGEDHO CN(C)CC(C)(C)C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000898308196 619235847 /nfs/dbraw/zinc/23/58/47/619235847.db2.gz RWGKSTJAIUSDSR-UHFFFAOYSA-N 1 3 317.477 3.389 20 30 DGEDHO CC[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902973111 619701549 /nfs/dbraw/zinc/70/15/49/619701549.db2.gz OFSJDPCVXFGOTO-QFBILLFUSA-N 1 3 315.461 3.100 20 30 DGEDHO CC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902973111 619701550 /nfs/dbraw/zinc/70/15/50/619701550.db2.gz OFSJDPCVXFGOTO-QFBILLFUSA-N 1 3 315.461 3.100 20 30 DGEDHO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000858490963 621197836 /nfs/dbraw/zinc/19/78/36/621197836.db2.gz UDVDJPBPPVIIKR-IAGOWNOFSA-N 1 3 300.446 3.081 20 30 DGEDHO C[C@@H](C#N)Oc1ccc(CN[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000116378572 621225201 /nfs/dbraw/zinc/22/52/01/621225201.db2.gz FGJNJPKPUZXTLN-MAUKXSAKSA-N 1 3 317.477 3.433 20 30 DGEDHO C#CCOc1cccc(Cl)c1CNCC1CC[NH+](CC)CC1 ZINC000778167927 623619479 /nfs/dbraw/zinc/61/94/79/623619479.db2.gz UPGWYPCXLINLNV-UHFFFAOYSA-N 1 3 320.864 3.174 20 30 DGEDHO C=C(Br)CN(CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702069 624645572 /nfs/dbraw/zinc/64/55/72/624645572.db2.gz DSADPOCXKURVRV-UHFFFAOYSA-N 1 3 303.288 3.195 20 30 DGEDHO C#CC[N@H+](C)CCCN[C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000815652484 627695362 /nfs/dbraw/zinc/69/53/62/627695362.db2.gz FFOVQKYMHXRVBD-GOSISDBHSA-N 1 3 300.446 3.062 20 30 DGEDHO C#CC[N@@H+](C)CCCN[C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000815652484 627695366 /nfs/dbraw/zinc/69/53/66/627695366.db2.gz FFOVQKYMHXRVBD-GOSISDBHSA-N 1 3 300.446 3.062 20 30 DGEDHO C=CCc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc(OC)c1OC ZINC000817909359 627959726 /nfs/dbraw/zinc/95/97/26/627959726.db2.gz OKWUFBKXJKBAOY-DLBZAZTESA-N 1 3 318.461 3.039 20 30 DGEDHO Cc1cc(C)cc(NC(=[NH2+])NCC(C)(C)N2CCCCC2)c1 ZINC000303787565 657563533 /nfs/dbraw/zinc/56/35/33/657563533.db2.gz SNIQDSOPRNUYNW-UHFFFAOYSA-N 1 3 302.466 3.295 20 30 DGEDHO C=C(C)COc1cc(C[NH2+]CC(C)(C)CN(C)C)ccc1OC ZINC000057958691 659039634 /nfs/dbraw/zinc/03/96/34/659039634.db2.gz QYHWLGLKWRHOHD-UHFFFAOYSA-N 1 3 320.477 3.328 20 30 DGEDHO CCCCN(CCO[C@@H](C)C#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032945 661447079 /nfs/dbraw/zinc/44/70/79/661447079.db2.gz CQKLRINPFHKJNY-HNNXBMFYSA-N 1 3 309.498 3.326 20 30 DGEDHO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)cc1Cl ZINC001461831401 1182865589 /nfs/dbraw/zinc/86/55/89/1182865589.db2.gz STLXIRUHMZOBSX-HLLBOEOZSA-N 1 3 320.864 3.335 20 30 DGEDHO C=C(C)C[N@@H+](CCNC(=O)[C@H](CC)N(C)C)C1CCCCCC1 ZINC001569451267 1190700897 /nfs/dbraw/zinc/70/08/97/1190700897.db2.gz VNSFUICRWFOVIN-SFHVURJKSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)C[N@H+](CCNC(=O)[C@H](CC)N(C)C)C1CCCCCC1 ZINC001569451267 1190700899 /nfs/dbraw/zinc/70/08/99/1190700899.db2.gz VNSFUICRWFOVIN-SFHVURJKSA-N 1 3 323.525 3.044 20 30 DGEDHO CC(C)[Si](C#CN[C@H](C)[C@@H]1C[NH2+]CCO1)(C(C)C)C(C)C ZINC001170568424 1082685767 /nfs/dbraw/zinc/68/57/67/1082685767.db2.gz ONCFGSCXBBWTMN-SJORKVTESA-N 1 3 310.558 3.132 20 30 DGEDHO CCCCCCC[C@H](C)C(=O)N(CCN(CC)CC)C(N)=[NH2+] ZINC001181134262 1083414615 /nfs/dbraw/zinc/41/46/15/1083414615.db2.gz FXZHKJIWILFUMU-HNNXBMFYSA-N 1 3 312.502 3.047 20 30 DGEDHO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC001182500537 1083735771 /nfs/dbraw/zinc/73/57/71/1083735771.db2.gz VPXZWHWSVPMOLV-OMZCGLGVSA-N 1 3 309.457 3.321 20 30 DGEDHO N#C[C@H]1CC[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC001182500537 1083735779 /nfs/dbraw/zinc/73/57/79/1083735779.db2.gz VPXZWHWSVPMOLV-OMZCGLGVSA-N 1 3 309.457 3.321 20 30 DGEDHO N#C[C@H]1CC[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC001182500537 1083735789 /nfs/dbraw/zinc/73/57/89/1083735789.db2.gz VPXZWHWSVPMOLV-OMZCGLGVSA-N 1 3 309.457 3.321 20 30 DGEDHO [NH3+][C@@H]1CCCN(Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001205102542 1091103204 /nfs/dbraw/zinc/10/32/04/1091103204.db2.gz STWMGJLFEHPIHV-OAQYLSRUSA-N 1 3 304.437 3.400 20 30 DGEDHO C=CCCCCC[C@H](N)C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218995899 1094922448 /nfs/dbraw/zinc/92/24/48/1094922448.db2.gz TXFWKXFHPGMOPM-AEFFLSMTSA-N 1 3 315.461 3.166 20 30 DGEDHO CCCCCCC[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001229184890 1097273200 /nfs/dbraw/zinc/27/32/00/1097273200.db2.gz DOEVJKYIVLOMIM-QGZVFWFLSA-N 1 3 323.525 3.022 20 30 DGEDHO C=CCOC1CCC(N2CCC([NH3+])(c3ccccc3)CC2)CC1 ZINC001173319110 1097429645 /nfs/dbraw/zinc/42/96/45/1097429645.db2.gz YRKUNLJSLFCZBY-UHFFFAOYSA-N 1 3 314.473 3.450 20 30 DGEDHO C[NH+]1CCC(C2CCN(Cc3ccc(C#N)s3)CC2)CC1 ZINC001232844294 1098150328 /nfs/dbraw/zinc/15/03/28/1098150328.db2.gz XHENHZXAMNAWNX-UHFFFAOYSA-N 1 3 303.475 3.174 20 30 DGEDHO C=CCc1cccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1[O-] ZINC001235702932 1099136669 /nfs/dbraw/zinc/13/66/69/1099136669.db2.gz XSQNXTIJKJPHKH-UHFFFAOYSA-N 1 3 314.473 3.332 20 30 DGEDHO [NH3+]CC[C@@H]1CCCN1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001235925597 1099261746 /nfs/dbraw/zinc/26/17/46/1099261746.db2.gz WQLAVVXUVPTEFE-NRFANRHFSA-N 1 3 304.437 3.400 20 30 DGEDHO C=CCOc1ccc(CN(C2CCC2)C2CC[NH2+]CC2)cc1 ZINC001236634516 1099715262 /nfs/dbraw/zinc/71/52/62/1099715262.db2.gz VCHWPQHLCHNYFE-UHFFFAOYSA-N 1 3 300.446 3.358 20 30 DGEDHO C=CCOc1ccc(C[N@H+](C2CCC2)C2CCNCC2)cc1 ZINC001236634516 1099715274 /nfs/dbraw/zinc/71/52/74/1099715274.db2.gz VCHWPQHLCHNYFE-UHFFFAOYSA-N 1 3 300.446 3.358 20 30 DGEDHO C=CCOc1ccc(C[N@@H+](C2CCC2)C2CCNCC2)cc1 ZINC001236634516 1099715283 /nfs/dbraw/zinc/71/52/83/1099715283.db2.gz VCHWPQHLCHNYFE-UHFFFAOYSA-N 1 3 300.446 3.358 20 30 DGEDHO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCCC12CCNCC2 ZINC001246027700 1104355181 /nfs/dbraw/zinc/35/51/81/1104355181.db2.gz BHJDVYUUMDPCIC-GOSISDBHSA-N 1 3 308.510 3.482 20 30 DGEDHO C=CCCCCCC[C@@H](O)C[N@H+]1CCCCC12CCNCC2 ZINC001246027700 1104355193 /nfs/dbraw/zinc/35/51/93/1104355193.db2.gz BHJDVYUUMDPCIC-GOSISDBHSA-N 1 3 308.510 3.482 20 30 DGEDHO CCCCCCC[C@H](CC(C)C)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246084396 1104378166 /nfs/dbraw/zinc/37/81/66/1104378166.db2.gz RUZCWINETHBPCD-FGTMMUONSA-N 1 3 316.505 3.414 20 30 DGEDHO CCCC[C@H]1C[C@@H](NCCCOc2ccccc2C#N)CC[NH2+]1 ZINC001246328385 1104492358 /nfs/dbraw/zinc/49/23/58/1104492358.db2.gz LRFSRECNGULVMR-ROUUACIJSA-N 1 3 315.461 3.228 20 30 DGEDHO N#Cc1ccc(CC2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)N4)CC2)cc1 ZINC001246807939 1104684464 /nfs/dbraw/zinc/68/44/64/1104684464.db2.gz VYSLVEGLVRPWJF-AERCQKQUSA-N 1 3 323.484 3.486 20 30 DGEDHO N#Cc1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)CC2)cn1 ZINC001255392772 1106240900 /nfs/dbraw/zinc/24/09/00/1106240900.db2.gz LGGGXHAPLXNLPJ-IBGZPJMESA-N 1 3 320.440 3.098 20 30 DGEDHO C=C1C[C@@H]2CC([NH2+][C@H]3CC[C@H](N4CCOCC4)CC3)C[C@H](C1)C2 ZINC001257890489 1106641756 /nfs/dbraw/zinc/64/17/56/1106641756.db2.gz OYBZFKFPASZCBT-NELOAPHISA-N 1 3 318.505 3.354 20 30 DGEDHO CCCCCCC[C@H](C)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001258049864 1106664901 /nfs/dbraw/zinc/66/49/01/1106664901.db2.gz PZKZJHDIPYTZSL-IBGZPJMESA-N 1 3 309.542 3.449 20 30 DGEDHO CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001316978390 1106841841 /nfs/dbraw/zinc/84/18/41/1106841841.db2.gz WLTPOQWJVPVWNO-ZWKOTPCHSA-N 1 3 323.525 3.020 20 30 DGEDHO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001316978390 1106841848 /nfs/dbraw/zinc/84/18/48/1106841848.db2.gz WLTPOQWJVPVWNO-ZWKOTPCHSA-N 1 3 323.525 3.020 20 30 DGEDHO CCCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001316984380 1106847207 /nfs/dbraw/zinc/84/72/07/1106847207.db2.gz JOXCRNUYKGEVSO-KRWDZBQOSA-N 1 3 323.525 3.022 20 30 DGEDHO CCCCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001316984380 1106847222 /nfs/dbraw/zinc/84/72/22/1106847222.db2.gz JOXCRNUYKGEVSO-KRWDZBQOSA-N 1 3 323.525 3.022 20 30 DGEDHO C=C(C)C[NH+]1CCC(NCc2ccc(-n3cccn3)cc2)CC1 ZINC000106245494 432020377 /nfs/dbraw/zinc/02/03/77/432020377.db2.gz NYVVECOOEMMOLI-UHFFFAOYSA-N 1 3 310.445 3.002 20 30 DGEDHO C=C(C)COCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000180179689 432080138 /nfs/dbraw/zinc/08/01/38/432080138.db2.gz KHLYYCYRZUPELZ-HSALFYBXSA-N 1 3 314.473 3.079 20 30 DGEDHO C=C(C)COCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000180179689 432080140 /nfs/dbraw/zinc/08/01/40/432080140.db2.gz KHLYYCYRZUPELZ-HSALFYBXSA-N 1 3 314.473 3.079 20 30 DGEDHO C=C(C)COCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000180179689 432080143 /nfs/dbraw/zinc/08/01/43/432080143.db2.gz KHLYYCYRZUPELZ-HSALFYBXSA-N 1 3 314.473 3.079 20 30 DGEDHO C=C(C)COc1cc(CNCC2=CC[N@H+](C)CC2)ccc1OC ZINC000271885108 209296189 /nfs/dbraw/zinc/29/61/89/209296189.db2.gz NEQSWNMYIAAEDJ-UHFFFAOYSA-N 1 3 316.445 3.002 20 30 DGEDHO C=C(C)COc1cc(CNCC2=CC[N@@H+](C)CC2)ccc1OC ZINC000271885108 209296191 /nfs/dbraw/zinc/29/61/91/209296191.db2.gz NEQSWNMYIAAEDJ-UHFFFAOYSA-N 1 3 316.445 3.002 20 30 DGEDHO C=CCCCC[C@H](C)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000449104769 240020314 /nfs/dbraw/zinc/02/03/14/240020314.db2.gz BFOUZLPNZPVFFA-KRWDZBQOSA-N 1 3 307.526 3.270 20 30 DGEDHO N#Cc1ccc(CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000595388091 400137928 /nfs/dbraw/zinc/13/79/28/400137928.db2.gz UISRXPQEJQMHHJ-UYAOXDASSA-N 1 3 309.457 3.049 20 30 DGEDHO N#Cc1ccc(CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000595388091 400137930 /nfs/dbraw/zinc/13/79/30/400137930.db2.gz UISRXPQEJQMHHJ-UYAOXDASSA-N 1 3 309.457 3.049 20 30 DGEDHO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000590962125 400469891 /nfs/dbraw/zinc/46/98/91/400469891.db2.gz JVHCPPKKXFHYIQ-FQEVSTJZSA-N 1 3 318.424 3.199 20 30 DGEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000602517677 400485776 /nfs/dbraw/zinc/48/57/76/400485776.db2.gz DHBWWRZKTLYIMT-AOIWGVFYSA-N 1 3 321.509 3.185 20 30 DGEDHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CC[C@H]21 ZINC000597030194 400543187 /nfs/dbraw/zinc/54/31/87/400543187.db2.gz QVBTZQSBCNWKIX-IEBWSBKVSA-N 1 3 309.457 3.158 20 30 DGEDHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)CC[C@H]21 ZINC000597030194 400543188 /nfs/dbraw/zinc/54/31/88/400543188.db2.gz QVBTZQSBCNWKIX-IEBWSBKVSA-N 1 3 309.457 3.158 20 30 DGEDHO C[C@@H]1CN(CCC2CC[NH+](CCC(C)(C)C#N)CC2)C[C@@H](C)O1 ZINC000345760283 229156929 /nfs/dbraw/zinc/15/69/29/229156929.db2.gz UABRYNLWYUGXEW-IAGOWNOFSA-N 1 3 321.509 3.138 20 30 DGEDHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2cccc(C#N)c2)C[C@@H]1C ZINC000357273746 266151528 /nfs/dbraw/zinc/15/15/28/266151528.db2.gz PCQDLUIAUZBMQP-FUHWJXTLSA-N 1 3 315.461 3.132 20 30 DGEDHO CC[N@H+]1CC[C@@H](N(C)CCCOc2cccc(C#N)c2)C[C@@H]1C ZINC000357273746 266151532 /nfs/dbraw/zinc/15/15/32/266151532.db2.gz PCQDLUIAUZBMQP-FUHWJXTLSA-N 1 3 315.461 3.132 20 30 DGEDHO N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000360838656 268219264 /nfs/dbraw/zinc/21/92/64/268219264.db2.gz VCAGZTGTUCAQGU-OXQOHEQNSA-N 1 3 309.457 3.400 20 30 DGEDHO N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000360838656 268219266 /nfs/dbraw/zinc/21/92/66/268219266.db2.gz VCAGZTGTUCAQGU-OXQOHEQNSA-N 1 3 309.457 3.400 20 30 DGEDHO C[NH+](C)CCCC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000271037324 432320038 /nfs/dbraw/zinc/32/00/38/432320038.db2.gz MBLUFFJLALYDJP-UHFFFAOYSA-N 1 3 315.461 3.143 20 30 DGEDHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(OCC#N)cc1 ZINC000192940551 432432327 /nfs/dbraw/zinc/43/23/27/432432327.db2.gz QFSAPLNWVMZLRP-MRXNPFEDSA-N 1 3 301.434 3.116 20 30 DGEDHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccc(C#N)s2)C1 ZINC000176948510 432569393 /nfs/dbraw/zinc/56/93/93/432569393.db2.gz XWQGNOKRPHMAPZ-GJZGRUSLSA-N 1 3 305.491 3.467 20 30 DGEDHO CCCN(CCC[NH+](C)C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290463625 433061026 /nfs/dbraw/zinc/06/10/26/433061026.db2.gz NDBZVAXCUMIKCV-UHFFFAOYSA-N 1 3 316.493 3.200 20 30 DGEDHO C=CCN(CC=C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000422835657 434041737 /nfs/dbraw/zinc/04/17/37/434041737.db2.gz PUKMGTDALSBYQZ-VNTMZGSJSA-N 1 3 319.537 3.195 20 30 DGEDHO C[NH+](C)Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353416573 434119064 /nfs/dbraw/zinc/11/90/64/434119064.db2.gz YMLPCPYLJUVONQ-FQEVSTJZSA-N 1 3 305.425 3.397 20 30 DGEDHO C=CC[C@H]1CC[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1 ZINC000651723746 435806243 /nfs/dbraw/zinc/80/62/43/435806243.db2.gz ZZZJXAIRXQMBEQ-RBUKOAKNSA-N 1 3 319.537 3.271 20 30 DGEDHO C=CCOc1ccccc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786482 436044936 /nfs/dbraw/zinc/04/49/36/436044936.db2.gz SYZMLKOTOOMJLT-SFHVURJKSA-N 1 3 314.473 3.463 20 30 DGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000657594844 436257517 /nfs/dbraw/zinc/25/75/17/436257517.db2.gz DEBMJTRNLZKSJS-AHRSYUTCSA-N 1 3 314.473 3.088 20 30 DGEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCCN1CCN(CC)CC1 ZINC000657837396 436321698 /nfs/dbraw/zinc/32/16/98/436321698.db2.gz ZMUFSNHGVQJDRB-OALUTQOASA-N 1 3 307.526 3.129 20 30 DGEDHO C[N@H+](CCC1CCN(c2ccncc2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293730656 334201558 /nfs/dbraw/zinc/20/15/58/334201558.db2.gz GQVCFZIAGWKIRI-IEBWSBKVSA-N 1 3 312.461 3.312 20 30 DGEDHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293730656 334201560 /nfs/dbraw/zinc/20/15/60/334201560.db2.gz GQVCFZIAGWKIRI-IEBWSBKVSA-N 1 3 312.461 3.312 20 30 DGEDHO C=C(C)COCCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508701437 340251018 /nfs/dbraw/zinc/25/10/18/340251018.db2.gz XDBHDFVRSUDSNW-HKUYNNGSSA-N 1 3 302.462 3.079 20 30 DGEDHO C=C(C)COCCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508701437 340251019 /nfs/dbraw/zinc/25/10/19/340251019.db2.gz XDBHDFVRSUDSNW-HKUYNNGSSA-N 1 3 302.462 3.079 20 30 DGEDHO C=C(C)COCCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508701564 340251046 /nfs/dbraw/zinc/25/10/46/340251046.db2.gz XDBHDFVRSUDSNW-MJGOQNOKSA-N 1 3 302.462 3.079 20 30 DGEDHO C=C(C)COCCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508701564 340251047 /nfs/dbraw/zinc/25/10/47/340251047.db2.gz XDBHDFVRSUDSNW-MJGOQNOKSA-N 1 3 302.462 3.079 20 30 DGEDHO C=CCN1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000358678639 526450820 /nfs/dbraw/zinc/45/08/20/526450820.db2.gz MEJRXEFGJNWVMJ-UHFFFAOYSA-N 1 3 305.510 3.024 20 30 DGEDHO C=CCOCC[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000339022624 526772078 /nfs/dbraw/zinc/77/20/78/526772078.db2.gz QLVRUUIRIOXOHD-PMACEKPBSA-N 1 3 314.473 3.176 20 30 DGEDHO C=CCOCC[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000339022624 526772083 /nfs/dbraw/zinc/77/20/83/526772083.db2.gz QLVRUUIRIOXOHD-PMACEKPBSA-N 1 3 314.473 3.176 20 30 DGEDHO CC[NH+](CC)CCO[C@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000442680064 528149424 /nfs/dbraw/zinc/14/94/24/528149424.db2.gz NHXNRVMJMIXXJF-APWZRJJASA-N 1 3 315.461 3.052 20 30 DGEDHO C[C@]1(C#N)CCN(CCCCCC[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000852686069 620641241 /nfs/dbraw/zinc/64/12/41/620641241.db2.gz FEXVPKMHZWQCEX-QZTJIDSGSA-N 1 3 302.466 3.018 20 30 DGEDHO C[C@]1(C#N)CCN(CCCCCC[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000852686069 620641242 /nfs/dbraw/zinc/64/12/42/620641242.db2.gz FEXVPKMHZWQCEX-QZTJIDSGSA-N 1 3 302.466 3.018 20 30 DGEDHO CSc1ccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1C#N ZINC000925773992 618615058 /nfs/dbraw/zinc/61/50/58/618615058.db2.gz QUTOUBPDVIJJOK-CABCVRRESA-N 1 3 303.475 3.276 20 30 DGEDHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902746975 619669487 /nfs/dbraw/zinc/66/94/87/619669487.db2.gz BRAIAOCPGNQLBY-CVEARBPZSA-N 1 3 300.450 3.258 20 30 DGEDHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902746975 619669489 /nfs/dbraw/zinc/66/94/89/619669489.db2.gz BRAIAOCPGNQLBY-CVEARBPZSA-N 1 3 300.450 3.258 20 30 DGEDHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902746976 619669501 /nfs/dbraw/zinc/66/95/01/619669501.db2.gz BRAIAOCPGNQLBY-HOTGVXAUSA-N 1 3 300.450 3.258 20 30 DGEDHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902746976 619669502 /nfs/dbraw/zinc/66/95/02/619669502.db2.gz BRAIAOCPGNQLBY-HOTGVXAUSA-N 1 3 300.450 3.258 20 30 DGEDHO C#CCCOc1ccc(C[NH2+]C2CCN(CCC)CC2)cc1 ZINC000113315260 620900485 /nfs/dbraw/zinc/90/04/85/620900485.db2.gz BZRGKKHIOWSCIJ-UHFFFAOYSA-N 1 3 300.446 3.053 20 30 DGEDHO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000858490962 621197637 /nfs/dbraw/zinc/19/76/37/621197637.db2.gz UDVDJPBPPVIIKR-DLBZAZTESA-N 1 3 300.446 3.081 20 30 DGEDHO C#CC[C@H](CCOC)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000862547913 621600334 /nfs/dbraw/zinc/60/03/34/621600334.db2.gz SVTRKWNHLUKNIL-SCTDSRPQSA-N 1 3 306.494 3.048 20 30 DGEDHO C=CCOCCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926113868 627845449 /nfs/dbraw/zinc/84/54/49/627845449.db2.gz BSJGRXBNGHCTNB-IHWFROFDSA-N 1 3 314.473 3.364 20 30 DGEDHO C=CCOCCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926113868 627845451 /nfs/dbraw/zinc/84/54/51/627845451.db2.gz BSJGRXBNGHCTNB-IHWFROFDSA-N 1 3 314.473 3.364 20 30 DGEDHO CC[C@H](CNC(=[NH2+])Nc1cccc(C(C)C)c1)N1CCCC1 ZINC000303876115 657570307 /nfs/dbraw/zinc/57/03/07/657570307.db2.gz DQDGMWRLQVQKCM-QGZVFWFLSA-N 1 3 302.466 3.411 20 30 DGEDHO CCc1ccc(NC(=[NH2+])NC[C@H](C)N2CCCC[C@H]2C)cc1 ZINC000303911926 657578784 /nfs/dbraw/zinc/57/87/84/657578784.db2.gz ZXZMIDVGCZMKGO-CABCVRRESA-N 1 3 302.466 3.239 20 30 DGEDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCCC1(C#N)CCC1 ZINC000930059965 659901665 /nfs/dbraw/zinc/90/16/65/659901665.db2.gz HNJROFSJWRLTGJ-KZNAEPCWSA-N 1 3 319.493 3.034 20 30 DGEDHO C[C@@H]1CCCC[C@]1(CN)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC001576690038 1191862951 /nfs/dbraw/zinc/86/29/51/1191862951.db2.gz HYXMKESZNRXAQF-CXAGYDPISA-N 1 3 321.852 3.240 20 30 DGEDHO COc1ccc([C@H](C[NH3+])CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC001579194423 1191968910 /nfs/dbraw/zinc/96/89/10/1191968910.db2.gz MZYCIGVTQZSMOW-HNAYVOBHSA-N 1 3 323.440 3.302 20 30 DGEDHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)[C@H]2C1 ZINC001660251685 1196462739 /nfs/dbraw/zinc/46/27/39/1196462739.db2.gz ZWRDQCVJNTWDBJ-IUOOZTADSA-N 1 3 323.484 3.320 20 30 DGEDHO CN1CCC[C@@H]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170361957 1082352744 /nfs/dbraw/zinc/35/27/44/1082352744.db2.gz KVVLCFYOASMNFJ-IOJLRTSASA-N 1 3 311.473 3.464 20 30 DGEDHO C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001153367666 1088234336 /nfs/dbraw/zinc/23/43/36/1088234336.db2.gz BFDBIMLSGYBFFH-QGZVFWFLSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001153367666 1088234349 /nfs/dbraw/zinc/23/43/49/1088234349.db2.gz BFDBIMLSGYBFFH-QGZVFWFLSA-N 1 3 323.525 3.044 20 30 DGEDHO CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CN(C)CCC ZINC001156530632 1089564766 /nfs/dbraw/zinc/56/47/66/1089564766.db2.gz RTTAFTOAZSFZAR-QGZVFWFLSA-N 1 3 313.530 3.125 20 30 DGEDHO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)CCC ZINC001156530632 1089564774 /nfs/dbraw/zinc/56/47/74/1089564774.db2.gz RTTAFTOAZSFZAR-QGZVFWFLSA-N 1 3 313.530 3.125 20 30 DGEDHO CCCCCCC[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208331922 1092316748 /nfs/dbraw/zinc/31/67/48/1092316748.db2.gz YOPUMNFKHOADHH-KRWDZBQOSA-N 1 3 323.525 3.022 20 30 DGEDHO C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001208454691 1092360227 /nfs/dbraw/zinc/36/02/27/1092360227.db2.gz ZKSCEBOGWJBPDP-QGZVFWFLSA-N 1 3 323.525 3.044 20 30 DGEDHO CN(C)CC1(C[NH2+]C2CC(C#N)(c3ccccc3)C2)CCCC1 ZINC001116723373 1095643530 /nfs/dbraw/zinc/64/35/30/1095643530.db2.gz TWSWCDIXKPENMO-UHFFFAOYSA-N 1 3 311.473 3.322 20 30 DGEDHO C=CCCC[C@@H](N)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC001340172052 1095894094 /nfs/dbraw/zinc/89/40/94/1095894094.db2.gz GFHXEMHDEVLVHM-QGZVFWFLSA-N 1 3 303.450 3.151 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC001340216184 1095909455 /nfs/dbraw/zinc/90/94/55/1095909455.db2.gz QROTVARVXRJTPR-IRXDYDNUSA-N 1 3 311.514 3.007 20 30 DGEDHO CCCCCCCC[C@@H](N)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC001341148415 1096123776 /nfs/dbraw/zinc/12/37/76/1096123776.db2.gz LJSAYOGSQZGKLU-DLBZAZTESA-N 1 3 323.525 3.055 20 30 DGEDHO C=CCOC1CCC(N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC001173323215 1097416826 /nfs/dbraw/zinc/41/68/26/1097416826.db2.gz TUOLYUOFYXYGDK-UHFFFAOYSA-N 1 3 306.494 3.451 20 30 DGEDHO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001175574557 1098101728 /nfs/dbraw/zinc/10/17/28/1098101728.db2.gz XZYAQNWEAIIMKO-QZTJIDSGSA-N 1 3 323.525 3.090 20 30 DGEDHO C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001176759584 1098434324 /nfs/dbraw/zinc/43/43/24/1098434324.db2.gz KSXRGNZQJSPBPK-MSOLQXFVSA-N 1 3 323.525 3.092 20 30 DGEDHO N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235430704 1099027264 /nfs/dbraw/zinc/02/72/64/1099027264.db2.gz XHTWBVQJULUALZ-IAGOWNOFSA-N 1 3 317.864 3.423 20 30 DGEDHO N#CCCCC[NH+]1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001277947967 1099059268 /nfs/dbraw/zinc/05/92/68/1099059268.db2.gz CHNCLCWAGRIOGR-UHFFFAOYSA-N 1 3 317.399 3.421 20 30 DGEDHO CCCCCCC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001179534485 1099121347 /nfs/dbraw/zinc/12/13/47/1099121347.db2.gz NQCALVONSMOPFC-BZSNNMDCSA-N 1 3 323.525 3.020 20 30 DGEDHO CCCCCCCCCCN1CCN(C2CC[NH2+]CC2)CC1 ZINC001235699880 1099134714 /nfs/dbraw/zinc/13/47/14/1099134714.db2.gz UIEOFAWLOVNGMM-UHFFFAOYSA-N 1 3 309.542 3.497 20 30 DGEDHO C=CCCCCCC[C@H](O)CN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246026881 1104353435 /nfs/dbraw/zinc/35/34/35/1104353435.db2.gz VPDUFNWMRGEKAS-RBUKOAKNSA-N 1 3 308.510 3.340 20 30 DGEDHO CCCCCCCCCC[C@H](O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246035531 1104358166 /nfs/dbraw/zinc/35/81/66/1104358166.db2.gz SNZGGJREWATIQI-QRVBRYPASA-N 1 3 310.526 3.419 20 30 DGEDHO CCCCCCC[C@@H](CCC)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246088075 1104377272 /nfs/dbraw/zinc/37/72/72/1104377272.db2.gz INMSYDDPHUSTDZ-IXDOHACOSA-N 1 3 302.478 3.168 20 30 DGEDHO CC(C)(C)[C@H]1C[C@@H](NCCCOc2ccccc2C#N)CC[NH2+]1 ZINC001246329537 1104492733 /nfs/dbraw/zinc/49/27/33/1104492733.db2.gz QKLNIKMGZVQVIE-FUHWJXTLSA-N 1 3 315.461 3.083 20 30 DGEDHO CCCCCCCC[C@@H](CCC)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246403605 1104529705 /nfs/dbraw/zinc/52/97/05/1104529705.db2.gz GNESVZRBKVFKBP-SJORKVTESA-N 1 3 313.530 3.478 20 30 DGEDHO N#Cc1ccc(C2CCC([N@@H+]3CCCC4(CNC4)C3)CC2)cc1 ZINC001246789029 1104676779 /nfs/dbraw/zinc/67/67/79/1104676779.db2.gz APHQOYJQEISSBT-UHFFFAOYSA-N 1 3 309.457 3.270 20 30 DGEDHO N#Cc1ccc(C2CCC([N@H+]3CCCC4(CNC4)C3)CC2)cc1 ZINC001246789029 1104676781 /nfs/dbraw/zinc/67/67/81/1104676781.db2.gz APHQOYJQEISSBT-UHFFFAOYSA-N 1 3 309.457 3.270 20 30 DGEDHO N#Cc1ccc(C2CCC(N3CCCC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246789029 1104676785 /nfs/dbraw/zinc/67/67/85/1104676785.db2.gz APHQOYJQEISSBT-UHFFFAOYSA-N 1 3 309.457 3.270 20 30 DGEDHO C=C[C@@](C)(O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001252579241 1105797576 /nfs/dbraw/zinc/79/75/76/1105797576.db2.gz KDGDOBLCINZBCV-GOSISDBHSA-N 1 3 322.880 3.079 20 30 DGEDHO CCN(CC)CC[C@@H](C)[NH2+]CCCOc1cccc(C#N)c1 ZINC001255950463 1106346857 /nfs/dbraw/zinc/34/68/57/1106346857.db2.gz HPKRRDNNPZANPG-MRXNPFEDSA-N 1 3 303.450 3.037 20 30 DGEDHO CCN(CC)CC[C@H](C)[NH2+]CCCOc1cccc(C#N)c1 ZINC001255950461 1106347048 /nfs/dbraw/zinc/34/70/48/1106347048.db2.gz HPKRRDNNPZANPG-INIZCTEOSA-N 1 3 303.450 3.037 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001263126968 1107954688 /nfs/dbraw/zinc/95/46/88/1107954688.db2.gz BPSGGFMRDJMYMN-BZSNNMDCSA-N 1 3 323.525 3.055 20 30 DGEDHO CN(c1ccccc1C[NH2+]CCCCC#N)C1CCN(C)CC1 ZINC000177577232 530037099 /nfs/dbraw/zinc/03/70/99/530037099.db2.gz TZVAPGKTJQWSSQ-UHFFFAOYSA-N 1 3 314.477 3.000 20 30 DGEDHO N#Cc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)s1 ZINC000180274514 199140633 /nfs/dbraw/zinc/14/06/33/199140633.db2.gz CRACLRADDXQIQR-UHFFFAOYSA-N 1 3 312.442 3.021 20 30 DGEDHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000181616333 299289788 /nfs/dbraw/zinc/28/97/88/299289788.db2.gz OGDNMHPVDKOTTB-BBWFWOEESA-N 1 3 315.461 3.098 20 30 DGEDHO COc1cc(CNCCCC[N@@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000281575728 216395421 /nfs/dbraw/zinc/39/54/21/216395421.db2.gz CVMDUVDAZXPZEI-INIZCTEOSA-N 1 3 315.461 3.311 20 30 DGEDHO COc1cc(CNCCCC[N@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000281575728 216395424 /nfs/dbraw/zinc/39/54/24/216395424.db2.gz CVMDUVDAZXPZEI-INIZCTEOSA-N 1 3 315.461 3.311 20 30 DGEDHO Cc1cc(CNCc2ccc(OCC[NH+](C)C)cc2)ccc1C#N ZINC000443967807 239244474 /nfs/dbraw/zinc/24/44/74/239244474.db2.gz DHJFEGVRGKNKDV-UHFFFAOYSA-N 1 3 323.440 3.097 20 30 DGEDHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccc(C#N)c1 ZINC000590957389 400468642 /nfs/dbraw/zinc/46/86/42/400468642.db2.gz VALFSEPDMSPKSL-OAHLLOKOSA-N 1 3 306.413 3.273 20 30 DGEDHO C=CCCSCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000596649722 400472426 /nfs/dbraw/zinc/47/24/26/400472426.db2.gz GFHWZRDZQYFXHJ-SJLPKXTDSA-N 1 3 318.486 3.141 20 30 DGEDHO C[C@H](CC1(C#N)CCOCC1)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000602526758 400488301 /nfs/dbraw/zinc/48/83/01/400488301.db2.gz MBUPGSXWLKVAEK-DLBZAZTESA-N 1 3 321.509 3.185 20 30 DGEDHO C[C@H](CC1(C#N)CCOCC1)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000602526758 400488306 /nfs/dbraw/zinc/48/83/06/400488306.db2.gz MBUPGSXWLKVAEK-DLBZAZTESA-N 1 3 321.509 3.185 20 30 DGEDHO CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602544559 400493017 /nfs/dbraw/zinc/49/30/17/400493017.db2.gz LOIOLZXUKVSZQT-ZWKOTPCHSA-N 1 3 321.509 3.330 20 30 DGEDHO CCCC[N@H+]1CCCC[C@@H]1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602544559 400493023 /nfs/dbraw/zinc/49/30/23/400493023.db2.gz LOIOLZXUKVSZQT-ZWKOTPCHSA-N 1 3 321.509 3.330 20 30 DGEDHO CC(C#N)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000345767242 229156808 /nfs/dbraw/zinc/15/68/08/229156808.db2.gz QODMXWPHZAWIDX-OAHLLOKOSA-N 1 3 313.445 3.227 20 30 DGEDHO CC(C#N)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000345767242 229156810 /nfs/dbraw/zinc/15/68/10/229156810.db2.gz QODMXWPHZAWIDX-OAHLLOKOSA-N 1 3 313.445 3.227 20 30 DGEDHO CC[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000278875680 288040514 /nfs/dbraw/zinc/04/05/14/288040514.db2.gz XLUCFYMIRJGQRJ-LPHOPBHVSA-N 1 3 315.461 3.100 20 30 DGEDHO CC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000278875680 288040518 /nfs/dbraw/zinc/04/05/18/288040518.db2.gz XLUCFYMIRJGQRJ-LPHOPBHVSA-N 1 3 315.461 3.100 20 30 DGEDHO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000248721358 432314373 /nfs/dbraw/zinc/31/43/73/432314373.db2.gz CIJRAPWBNYJETD-AABGKKOBSA-N 1 3 311.473 3.223 20 30 DGEDHO N#C[C@@H]1CCC[C@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000248721358 432314377 /nfs/dbraw/zinc/31/43/77/432314377.db2.gz CIJRAPWBNYJETD-AABGKKOBSA-N 1 3 311.473 3.223 20 30 DGEDHO N#C[C@@H]1CCC[C@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000248721358 432314380 /nfs/dbraw/zinc/31/43/80/432314380.db2.gz CIJRAPWBNYJETD-AABGKKOBSA-N 1 3 311.473 3.223 20 30 DGEDHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000175008099 432388955 /nfs/dbraw/zinc/38/89/55/432388955.db2.gz RPDLHZGHYOXOFT-ROUUACIJSA-N 1 3 315.461 3.332 20 30 DGEDHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)c1ccc(OCC#N)cc1 ZINC000276899776 432826917 /nfs/dbraw/zinc/82/69/17/432826917.db2.gz NCKVNAZQVQTULB-INIZCTEOSA-N 1 3 315.461 3.362 20 30 DGEDHO C=C(C)COCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245667953 432854014 /nfs/dbraw/zinc/85/40/14/432854014.db2.gz GWBFNRBSWKFURJ-OWZKRDHZSA-N 1 3 314.473 3.364 20 30 DGEDHO C=C(C)COCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245667953 432854016 /nfs/dbraw/zinc/85/40/16/432854016.db2.gz GWBFNRBSWKFURJ-OWZKRDHZSA-N 1 3 314.473 3.364 20 30 DGEDHO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000657594847 436257866 /nfs/dbraw/zinc/25/78/66/436257866.db2.gz DEBMJTRNLZKSJS-UXPWSPDFSA-N 1 3 314.473 3.088 20 30 DGEDHO C=C(C)CN1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000152937398 526602523 /nfs/dbraw/zinc/60/25/23/526602523.db2.gz BNVGFMZIAAGCTG-UHFFFAOYSA-N 1 3 319.537 3.414 20 30 DGEDHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181699699 529015877 /nfs/dbraw/zinc/01/58/77/529015877.db2.gz IWVVXWQFBLWFCZ-IRXDYDNUSA-N 1 3 315.461 3.360 20 30 DGEDHO CC[N@@H+]1CC[C@H](N(C)CCCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000740886360 574944805 /nfs/dbraw/zinc/94/48/05/574944805.db2.gz OCNXFHLLUVXCJM-WMZOPIPTSA-N 1 3 315.461 3.132 20 30 DGEDHO CC[N@H+]1CC[C@H](N(C)CCCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000740886360 574944807 /nfs/dbraw/zinc/94/48/07/574944807.db2.gz OCNXFHLLUVXCJM-WMZOPIPTSA-N 1 3 315.461 3.132 20 30 DGEDHO C=CCC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(Cl)c1 ZINC000903100452 619716216 /nfs/dbraw/zinc/71/62/16/619716216.db2.gz SMOHZHMILGWBDA-QGZVFWFLSA-N 1 3 322.880 3.394 20 30 DGEDHO N#Cc1cc(Cl)cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000903454457 619779369 /nfs/dbraw/zinc/77/93/69/619779369.db2.gz ZXIOSWQLTGBPFW-JKSUJKDBSA-N 1 3 303.837 3.033 20 30 DGEDHO C[C@@H](C#N)Oc1ccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000116378564 621225265 /nfs/dbraw/zinc/22/52/65/621225265.db2.gz FGJNJPKPUZXTLN-YJBOKZPZSA-N 1 3 317.477 3.433 20 30 DGEDHO C[C@@H](NCc1ccc(C#N)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000765011440 622239589 /nfs/dbraw/zinc/23/95/89/622239589.db2.gz MPGNBRYALABVBV-MRXNPFEDSA-N 1 3 323.440 3.349 20 30 DGEDHO CC[C@H](C#N)Oc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000774245462 623124448 /nfs/dbraw/zinc/12/44/48/623124448.db2.gz UOSAEJQTFUNINE-HQSKLWIPSA-N 1 3 313.445 3.082 20 30 DGEDHO C=CC[C@H](C)[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000879018965 624409059 /nfs/dbraw/zinc/40/90/59/624409059.db2.gz LPUPIZFAGSXZLW-LPHOPBHVSA-N 1 3 317.477 3.340 20 30 DGEDHO C=CC[C@H](C)[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000879018965 624409061 /nfs/dbraw/zinc/40/90/61/624409061.db2.gz LPUPIZFAGSXZLW-LPHOPBHVSA-N 1 3 317.477 3.340 20 30 DGEDHO N#CCC1(CN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886605636 627171425 /nfs/dbraw/zinc/17/14/25/627171425.db2.gz VWMGVVAKIFKEOW-FHWLQOOXSA-N 1 3 309.457 3.323 20 30 DGEDHO N#CCC1(CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886605636 627171426 /nfs/dbraw/zinc/17/14/26/627171426.db2.gz VWMGVVAKIFKEOW-FHWLQOOXSA-N 1 3 309.457 3.323 20 30 DGEDHO N#CCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000886605636 627171430 /nfs/dbraw/zinc/17/14/30/627171430.db2.gz VWMGVVAKIFKEOW-FHWLQOOXSA-N 1 3 309.457 3.323 20 30 DGEDHO C=CCc1cc(C[NH2+][C@H]2CCCCC[C@H]2N)cc(OC)c1OC ZINC000817909002 627958888 /nfs/dbraw/zinc/95/88/88/627958888.db2.gz LSYBRAZCAROGFP-SJORKVTESA-N 1 3 318.461 3.182 20 30 DGEDHO CC(C)(CNC(=[NH2+])Nc1ccc2c(c1)CCC2)N1CCCCC1 ZINC000303781470 657562736 /nfs/dbraw/zinc/56/27/36/657562736.db2.gz MIEXQIVBHLYHCF-UHFFFAOYSA-N 1 3 314.477 3.166 20 30 DGEDHO CCc1ccc(NC(=[NH2+])NCCCN(C)Cc2ccccc2)cc1 ZINC000303789104 657563967 /nfs/dbraw/zinc/56/39/67/657563967.db2.gz VBWBDGZHKIEBLJ-UHFFFAOYSA-N 1 3 324.472 3.498 20 30 DGEDHO CCc1cccc(NC(=[NH2+])NC[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000303902926 657577245 /nfs/dbraw/zinc/57/72/45/657577245.db2.gz UIGNKIOTDPHHSK-HUUCEWRRSA-N 1 3 302.466 3.096 20 30 DGEDHO CC(C)N(C)CC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000303988959 657585679 /nfs/dbraw/zinc/58/56/79/657585679.db2.gz XARBJXBSMMLCOU-UHFFFAOYSA-N 1 3 302.466 3.281 20 30 DGEDHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCCCC1(C#N)CCC1 ZINC000931762844 661506508 /nfs/dbraw/zinc/50/65/08/661506508.db2.gz AMYFTAHMOUGNLA-KRWDZBQOSA-N 1 3 312.461 3.456 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001341634614 1179041819 /nfs/dbraw/zinc/04/18/19/1179041819.db2.gz QSFBGKXKDVDNIW-ROUUACIJSA-N 1 3 323.525 3.055 20 30 DGEDHO CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001267025986 1082444038 /nfs/dbraw/zinc/44/40/38/1082444038.db2.gz ACEZPSSXAPOFBM-ROUUACIJSA-N 1 3 323.525 3.022 20 30 DGEDHO CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001267025987 1082444508 /nfs/dbraw/zinc/44/45/08/1082444508.db2.gz ACEZPSSXAPOFBM-ZWKOTPCHSA-N 1 3 323.525 3.022 20 30 DGEDHO C=CCN1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132420068 1082903730 /nfs/dbraw/zinc/90/37/30/1082903730.db2.gz MHVQTCQTYZPDHH-ROUUACIJSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170770508 1083328793 /nfs/dbraw/zinc/32/87/93/1083328793.db2.gz ZHBRXSPHDJXCNH-KRWDZBQOSA-N 1 3 323.525 3.092 20 30 DGEDHO C=CCCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001209423892 1092769404 /nfs/dbraw/zinc/76/94/04/1092769404.db2.gz GCUWSUJVQIXEHF-UXHICEINSA-N 1 3 320.521 3.413 20 30 DGEDHO C=CCCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001209423892 1092769411 /nfs/dbraw/zinc/76/94/11/1092769411.db2.gz GCUWSUJVQIXEHF-UXHICEINSA-N 1 3 320.521 3.413 20 30 DGEDHO C=CCOc1ccccc1CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314409 1095546619 /nfs/dbraw/zinc/54/66/19/1095546619.db2.gz FSNZRWQXGYOJKD-LJQANCHMSA-N 1 3 300.446 3.360 20 30 DGEDHO C#Cc1ccc(C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001144576985 1095724843 /nfs/dbraw/zinc/72/48/43/1095724843.db2.gz ZMFZBAFMJOTGFA-FGZHOGPDSA-N 1 3 316.448 3.232 20 30 DGEDHO C#Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001144576986 1095725080 /nfs/dbraw/zinc/72/50/80/1095725080.db2.gz ZMFZBAFMJOTGFA-VXKWHMMOSA-N 1 3 316.448 3.232 20 30 DGEDHO N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235430702 1099026754 /nfs/dbraw/zinc/02/67/54/1099026754.db2.gz XHTWBVQJULUALZ-DLBZAZTESA-N 1 3 317.864 3.423 20 30 DGEDHO N#Cc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235430705 1099026930 /nfs/dbraw/zinc/02/69/30/1099026930.db2.gz XHTWBVQJULUALZ-IRXDYDNUSA-N 1 3 317.864 3.423 20 30 DGEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CN(C)CCCCCC)[C@H]1C ZINC001179748745 1099198262 /nfs/dbraw/zinc/19/82/62/1099198262.db2.gz IASIFXBEXJBBGU-ROUUACIJSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCCCCCC[C@H](O)C[NH2+]C1(CC2CC2)CCNCC1 ZINC001245997471 1104348308 /nfs/dbraw/zinc/34/83/08/1104348308.db2.gz PBRMCSIHYBNIEL-SFHVURJKSA-N 1 3 308.510 3.386 20 30 DGEDHO CC(C)(C)[C@@H]1C[C@@H](NCCCOc2ccccc2C#N)CC[NH2+]1 ZINC001246329539 1104493384 /nfs/dbraw/zinc/49/33/84/1104493384.db2.gz QKLNIKMGZVQVIE-WMZOPIPTSA-N 1 3 315.461 3.083 20 30 DGEDHO CC[C@@H]1CC(NCCCOc2cccc(C#N)c2)C[C@@H](CC)[NH2+]1 ZINC001246331467 1104494603 /nfs/dbraw/zinc/49/46/03/1104494603.db2.gz XHCYHZXTFLVJRE-IAGOWNOFSA-N 1 3 315.461 3.226 20 30 DGEDHO N#CC1(c2ccccc2)CCC([N@@H+]2CCCC[C@H](CN)C2)CC1 ZINC001246585979 1104605605 /nfs/dbraw/zinc/60/56/05/1104605605.db2.gz ZIICROHDEFCGHW-QHGAOEGBSA-N 1 3 311.473 3.451 20 30 DGEDHO N#CC1(c2ccccc2)CCC([N@H+]2CCCC[C@H](CN)C2)CC1 ZINC001246585979 1104605613 /nfs/dbraw/zinc/60/56/13/1104605613.db2.gz ZIICROHDEFCGHW-QHGAOEGBSA-N 1 3 311.473 3.451 20 30 DGEDHO N#C[C@@H]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001254643870 1106120713 /nfs/dbraw/zinc/12/07/13/1106120713.db2.gz NZQJAJBVEHNYOK-WAPOTWQKSA-N 1 3 309.457 3.464 20 30 DGEDHO N#C[C@@H]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001254643870 1106120715 /nfs/dbraw/zinc/12/07/15/1106120715.db2.gz NZQJAJBVEHNYOK-WAPOTWQKSA-N 1 3 309.457 3.464 20 30 DGEDHO N#C[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001254651036 1106122666 /nfs/dbraw/zinc/12/26/66/1106122666.db2.gz ZWAHQUKHEQZXED-FUHWJXTLSA-N 1 3 315.436 3.320 20 30 DGEDHO N#C[C@H]1CC[C@H]([NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)C1 ZINC001254665771 1106127804 /nfs/dbraw/zinc/12/78/04/1106127804.db2.gz PXBHWJOQKSOTOF-WMZOPIPTSA-N 1 3 313.445 3.260 20 30 DGEDHO N#C[C@H]1CC[C@H]([NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)C1 ZINC001254665577 1106127821 /nfs/dbraw/zinc/12/78/21/1106127821.db2.gz OKJTXJFUMGCWHD-HKUYNNGSSA-N 1 3 324.472 3.062 20 30 DGEDHO N#Cc1cncc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)c1 ZINC001255392003 1106239112 /nfs/dbraw/zinc/23/91/12/1106239112.db2.gz WYZREMLMGIBNOX-HXUWFJFHSA-N 1 3 320.440 3.098 20 30 DGEDHO CCN(CC)CC[C@H](C)[NH2+]CCCOc1ccccc1C#N ZINC001255950507 1106346937 /nfs/dbraw/zinc/34/69/37/1106346937.db2.gz IOFZJOXLDOIFHX-INIZCTEOSA-N 1 3 303.450 3.037 20 30 DGEDHO C=CCCCCCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000488105199 245147709 /nfs/dbraw/zinc/14/77/09/245147709.db2.gz CCIKGQRZDSEUGW-UHFFFAOYSA-N 1 3 307.526 3.223 20 30 DGEDHO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000595429901 400146928 /nfs/dbraw/zinc/14/69/28/400146928.db2.gz IGXFZCVGQLAYNS-APWZRJJASA-N 1 3 311.473 3.343 20 30 DGEDHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cccc(C(F)F)c1C#N ZINC000596361151 400391770 /nfs/dbraw/zinc/39/17/70/400391770.db2.gz JBSNAOMJSWFBIG-ZDUSSCGKSA-N 1 3 324.419 3.180 20 30 DGEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cccc(C(F)F)c1C#N ZINC000596361151 400391775 /nfs/dbraw/zinc/39/17/75/400391775.db2.gz JBSNAOMJSWFBIG-ZDUSSCGKSA-N 1 3 324.419 3.180 20 30 DGEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC1(CC#N)CC1 ZINC000602808197 400582228 /nfs/dbraw/zinc/58/22/28/400582228.db2.gz DHONQSHGXQCQST-DZFIZOCASA-N 1 3 311.473 3.426 20 30 DGEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC1(CC#N)CC1 ZINC000602808197 400582233 /nfs/dbraw/zinc/58/22/33/400582233.db2.gz DHONQSHGXQCQST-DZFIZOCASA-N 1 3 311.473 3.426 20 30 DGEDHO C=CC[C@H](C)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000150929067 432202903 /nfs/dbraw/zinc/20/29/03/432202903.db2.gz UARGCNYCBNFJOF-INIZCTEOSA-N 1 3 301.478 3.271 20 30 DGEDHO CN(C)CCOc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000174277236 228288858 /nfs/dbraw/zinc/28/88/58/228288858.db2.gz RVGPRHGFUHKKJX-UHFFFAOYSA-N 1 3 303.450 3.047 20 30 DGEDHO C#CCOc1ccc(CNCc2cccc(C[NH+](C)C)c2)cc1 ZINC000113318024 431340941 /nfs/dbraw/zinc/34/09/41/431340941.db2.gz DRYPGGDBNRDVIV-UHFFFAOYSA-N 1 3 308.425 3.050 20 30 DGEDHO N#CC1CCN(Cc2ccc(C[NH+]3CCC(C#N)CC3)cc2)CC1 ZINC000057906243 431994592 /nfs/dbraw/zinc/99/45/92/431994592.db2.gz XRTUYLHERLXAFH-UHFFFAOYSA-N 1 3 322.456 3.158 20 30 DGEDHO C[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)CN1CCCCC1 ZINC000194190997 432531701 /nfs/dbraw/zinc/53/17/01/432531701.db2.gz KOCPVPYKTXWZAI-IAGOWNOFSA-N 1 3 315.461 3.362 20 30 DGEDHO Cc1cc(C)cc(NC(=[NH2+])NCc2cccc(CN(C)C)c2)c1 ZINC000264136018 432618533 /nfs/dbraw/zinc/61/85/33/432618533.db2.gz ZQDFVEIRJOOPML-UHFFFAOYSA-N 1 3 310.445 3.292 20 30 DGEDHO C=CCC[N@@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000276140126 432775926 /nfs/dbraw/zinc/77/59/26/432775926.db2.gz NGYVRYNQNGJPPB-UHFFFAOYSA-N 1 3 301.478 3.225 20 30 DGEDHO C=CCC[N@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000276140126 432775932 /nfs/dbraw/zinc/77/59/32/432775932.db2.gz NGYVRYNQNGJPPB-UHFFFAOYSA-N 1 3 301.478 3.225 20 30 DGEDHO CC(C)(C#N)CCN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310028024 434106403 /nfs/dbraw/zinc/10/64/03/434106403.db2.gz WIDCBUKULXYQSG-RTBURBONSA-N 1 3 311.473 3.380 20 30 DGEDHO CC(C)(C#N)CCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310028024 434106409 /nfs/dbraw/zinc/10/64/09/434106409.db2.gz WIDCBUKULXYQSG-RTBURBONSA-N 1 3 311.473 3.380 20 30 DGEDHO CCCCCCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000370689893 434617962 /nfs/dbraw/zinc/61/79/62/434617962.db2.gz MXYWMQYANWGQEN-UHFFFAOYSA-N 1 3 309.542 3.447 20 30 DGEDHO CC(CCN(C)CC(C)(C)C#N)CC[N@H+](C)CC(C)(C)C#N ZINC000411779659 434827922 /nfs/dbraw/zinc/82/79/22/434827922.db2.gz HOCLSGRPWCMONX-UHFFFAOYSA-N 1 3 306.498 3.366 20 30 DGEDHO CC(CCN(C)CC(C)(C)C#N)CC[N@@H+](C)CC(C)(C)C#N ZINC000411779659 434827926 /nfs/dbraw/zinc/82/79/26/434827926.db2.gz HOCLSGRPWCMONX-UHFFFAOYSA-N 1 3 306.498 3.366 20 30 DGEDHO C=C[C@@H]1OCC[C@H]1NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000411792853 434831265 /nfs/dbraw/zinc/83/12/65/434831265.db2.gz RIDNSPNBCIIBAP-MOPGFXCFSA-N 1 3 300.446 3.106 20 30 DGEDHO CCC(CC)(CNC(=O)C(C)C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000522996596 434936569 /nfs/dbraw/zinc/93/65/69/434936569.db2.gz XBGKXDPKZQIUIL-CABCVRRESA-N 1 3 301.434 3.172 20 30 DGEDHO C=CCOc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000554781540 434946688 /nfs/dbraw/zinc/94/66/88/434946688.db2.gz RSAVZGYTYOATQW-UHFFFAOYSA-N 1 3 300.446 3.215 20 30 DGEDHO C=CCC[C@@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C1CC1 ZINC000658135512 436385123 /nfs/dbraw/zinc/38/51/23/436385123.db2.gz FDBUESLDMNQUDS-WOJBJXKFSA-N 1 3 314.473 3.088 20 30 DGEDHO C=CCCCC[C@@H](C)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000449104770 534696684 /nfs/dbraw/zinc/69/66/84/534696684.db2.gz BFOUZLPNZPVFFA-QGZVFWFLSA-N 1 3 307.526 3.270 20 30 DGEDHO N#C[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3cccs3)CC2)C1 ZINC000442798337 534755558 /nfs/dbraw/zinc/75/55/58/534755558.db2.gz WKIIKSBVLYINEG-JKSUJKDBSA-N 1 3 303.475 3.242 20 30 DGEDHO C=CCOCCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000348054982 526745360 /nfs/dbraw/zinc/74/53/60/526745360.db2.gz ZWOHBXVPRYMJDE-UHFFFAOYSA-N 1 3 317.477 3.213 20 30 DGEDHO C=CCOCCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000348054982 526745365 /nfs/dbraw/zinc/74/53/65/526745365.db2.gz ZWOHBXVPRYMJDE-UHFFFAOYSA-N 1 3 317.477 3.213 20 30 DGEDHO C=CCOc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1OC ZINC000350225281 526865730 /nfs/dbraw/zinc/86/57/30/526865730.db2.gz WVJSVUBAUUZQOC-UHFFFAOYSA-N 1 3 318.461 3.034 20 30 DGEDHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442708941 528152403 /nfs/dbraw/zinc/15/24/03/528152403.db2.gz MKWWQYMMTCKAFG-ZWKOTPCHSA-N 1 3 315.461 3.189 20 30 DGEDHO CC(C)C[C@H](CNC(=O)C(C)C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000347100257 528528077 /nfs/dbraw/zinc/52/80/77/528528077.db2.gz FUWVKXKRTKDDHE-HLLBOEOZSA-N 1 3 301.434 3.028 20 30 DGEDHO C=CCOCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000679724358 548945021 /nfs/dbraw/zinc/94/50/21/548945021.db2.gz VENFBINQSKUODZ-VAMGGRTRSA-N 1 3 314.473 3.079 20 30 DGEDHO C=CCOCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000679724358 548945023 /nfs/dbraw/zinc/94/50/23/548945023.db2.gz VENFBINQSKUODZ-VAMGGRTRSA-N 1 3 314.473 3.079 20 30 DGEDHO C=CCOCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000679724358 548945026 /nfs/dbraw/zinc/94/50/26/548945026.db2.gz VENFBINQSKUODZ-VAMGGRTRSA-N 1 3 314.473 3.079 20 30 DGEDHO C=CCOCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000679724356 548945081 /nfs/dbraw/zinc/94/50/81/548945081.db2.gz VENFBINQSKUODZ-HSALFYBXSA-N 1 3 314.473 3.079 20 30 DGEDHO C=CCOCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000679724356 548945083 /nfs/dbraw/zinc/94/50/83/548945083.db2.gz VENFBINQSKUODZ-HSALFYBXSA-N 1 3 314.473 3.079 20 30 DGEDHO C=CCOCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000679724356 548945085 /nfs/dbraw/zinc/94/50/85/548945085.db2.gz VENFBINQSKUODZ-HSALFYBXSA-N 1 3 314.473 3.079 20 30 DGEDHO CCN1CC[C@H]([N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)C[C@H]1C ZINC000769469962 622530605 /nfs/dbraw/zinc/53/06/05/622530605.db2.gz ILVBLTSYGBDULM-NUJGCVRESA-N 1 3 315.461 3.282 20 30 DGEDHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)C[C@H]1C ZINC000769469962 622530607 /nfs/dbraw/zinc/53/06/07/622530607.db2.gz ILVBLTSYGBDULM-NUJGCVRESA-N 1 3 315.461 3.282 20 30 DGEDHO N#Cc1ccc(CN2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000872155985 622837085 /nfs/dbraw/zinc/83/70/85/622837085.db2.gz BXDBSGAMXKHWMM-KSSFIOAISA-N 1 3 301.434 3.271 20 30 DGEDHO CC[N@H+](CCCN1CCCC1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809749343 626946719 /nfs/dbraw/zinc/94/67/19/626946719.db2.gz FQHPIGSKUBNEIO-QGZVFWFLSA-N 1 3 315.461 3.285 20 30 DGEDHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809749343 626946722 /nfs/dbraw/zinc/94/67/22/626946722.db2.gz FQHPIGSKUBNEIO-QGZVFWFLSA-N 1 3 315.461 3.285 20 30 DGEDHO CN(C)[C@H](C[NH+]=C(Nc1ccccc1)N1CCCCC1)C1CC1 ZINC000849068961 631825681 /nfs/dbraw/zinc/82/56/81/631825681.db2.gz DANVATPTEWOPSS-GOSISDBHSA-N 1 3 314.477 3.281 20 30 DGEDHO C#Cc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000850361960 632125909 /nfs/dbraw/zinc/12/59/09/632125909.db2.gz GPOZYXNYBZGTTO-UHFFFAOYSA-N 1 3 319.452 3.065 20 30 DGEDHO CCN(CC)[C@H](CNC(=[NH2+])Nc1cccc(OC)c1)CC(C)C ZINC000303786059 657563851 /nfs/dbraw/zinc/56/38/51/657563851.db2.gz RBAXVBWJYKWPBQ-INIZCTEOSA-N 1 3 320.481 3.178 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NCC(C)(C)N2CCCCC2)cc1C ZINC000303791598 657565189 /nfs/dbraw/zinc/56/51/89/657565189.db2.gz XTOHNTXIBHUVKQ-UHFFFAOYSA-N 1 3 302.466 3.295 20 30 DGEDHO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)N2CCCC[C@H]2C)c1 ZINC000303882708 657571407 /nfs/dbraw/zinc/57/14/07/657571407.db2.gz IIISFKROFIPHLR-CVEARBPZSA-N 1 3 302.466 3.293 20 30 DGEDHO CCc1cccc(NC(=[NH2+])NC[C@H](C)N2CCC(C)CC2)c1 ZINC000303893115 657573668 /nfs/dbraw/zinc/57/36/68/657573668.db2.gz RRCQVQSDONYWLQ-HNNXBMFYSA-N 1 3 302.466 3.096 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NC[C@H](C)N2CCC[C@@H](C)C2)cc1C ZINC000303908861 657578149 /nfs/dbraw/zinc/57/81/49/657578149.db2.gz XVUJUQYTNBXTOH-CJNGLKHVSA-N 1 3 302.466 3.150 20 30 DGEDHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCCC1(C#N)CCC1 ZINC000930059967 659901820 /nfs/dbraw/zinc/90/18/20/659901820.db2.gz HNJROFSJWRLTGJ-SQNIBIBYSA-N 1 3 319.493 3.034 20 30 DGEDHO C[C@@H]1CN(CCCCC2(C#N)CCC2)CCN1c1cc[nH+]cc1 ZINC000931683509 661497545 /nfs/dbraw/zinc/49/75/45/661497545.db2.gz KLJZIYRUIHDITI-QGZVFWFLSA-N 1 3 312.461 3.456 20 30 DGEDHO CCCCCCCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000157701692 661868598 /nfs/dbraw/zinc/86/85/98/661868598.db2.gz LKWTTYSJBCUSOM-KDURUIRLSA-N 1 3 309.542 3.447 20 30 DGEDHO CCCCCCCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000157701692 661868601 /nfs/dbraw/zinc/86/86/01/661868601.db2.gz LKWTTYSJBCUSOM-KDURUIRLSA-N 1 3 309.542 3.447 20 30 DGEDHO C=C(C)CN(C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001560939908 1189408728 /nfs/dbraw/zinc/40/87/28/1189408728.db2.gz VUKNHFCVPPWGCL-UHFFFAOYSA-N 1 3 312.360 3.078 20 30 DGEDHO CC1(C)C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1N ZINC001576458021 1191813833 /nfs/dbraw/zinc/81/38/33/1191813833.db2.gz UVZLOSVDFYQXLB-IBGZPJMESA-N 1 3 305.425 3.394 20 30 DGEDHO CC1(C)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1N ZINC001576458021 1191813844 /nfs/dbraw/zinc/81/38/44/1191813844.db2.gz UVZLOSVDFYQXLB-IBGZPJMESA-N 1 3 305.425 3.394 20 30 DGEDHO C=CCOc1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC001620729065 1193795521 /nfs/dbraw/zinc/79/55/21/1193795521.db2.gz UCTRKSRJDBBHQJ-UHFFFAOYSA-N 1 3 300.446 3.215 20 30 DGEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CN(C)CCC)C1 ZINC001692132150 1200941439 /nfs/dbraw/zinc/94/14/39/1200941439.db2.gz QTKLBYPVZRPMBQ-QZTJIDSGSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCC[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001707242310 1202577999 /nfs/dbraw/zinc/57/79/99/1202577999.db2.gz VHQHAMSIYPMNFS-ROUUACIJSA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCCCCC[C@H](N)C(=O)N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001161258264 1084618342 /nfs/dbraw/zinc/61/83/42/1084618342.db2.gz IXDUIDDMNRHEAQ-KRWDZBQOSA-N 1 3 323.525 3.077 20 30 DGEDHO CCCCCCC[NH2+]CCNC(=O)c1cccc(CN(C)C)c1 ZINC001152246349 1087927874 /nfs/dbraw/zinc/92/78/74/1087927874.db2.gz YCKMOEWACMTZKM-UHFFFAOYSA-N 1 3 319.493 3.038 20 30 DGEDHO C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001155612421 1089186398 /nfs/dbraw/zinc/18/63/98/1089186398.db2.gz UNZPWONEYVUUFN-QZTJIDSGSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001155612421 1089186406 /nfs/dbraw/zinc/18/64/06/1089186406.db2.gz UNZPWONEYVUUFN-QZTJIDSGSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001155619912 1089188843 /nfs/dbraw/zinc/18/88/43/1089188843.db2.gz BUCIWNXSAXXPOF-QZTJIDSGSA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001155619912 1089188851 /nfs/dbraw/zinc/18/88/51/1089188851.db2.gz BUCIWNXSAXXPOF-QZTJIDSGSA-N 1 3 323.525 3.042 20 30 DGEDHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001208927772 1092590160 /nfs/dbraw/zinc/59/01/60/1092590160.db2.gz QUDVUKIEQWRMNB-PMACEKPBSA-N 1 3 311.473 3.440 20 30 DGEDHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC001208927772 1092590171 /nfs/dbraw/zinc/59/01/71/1092590171.db2.gz QUDVUKIEQWRMNB-PMACEKPBSA-N 1 3 311.473 3.440 20 30 DGEDHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1CCc1ccc(C#N)cc1 ZINC001208927772 1092590176 /nfs/dbraw/zinc/59/01/76/1092590176.db2.gz QUDVUKIEQWRMNB-PMACEKPBSA-N 1 3 311.473 3.440 20 30 DGEDHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1CCc1ccc(C#N)cc1 ZINC001208927772 1092590184 /nfs/dbraw/zinc/59/01/84/1092590184.db2.gz QUDVUKIEQWRMNB-PMACEKPBSA-N 1 3 311.473 3.440 20 30 DGEDHO CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135705731 1094647250 /nfs/dbraw/zinc/64/72/50/1094647250.db2.gz ILQOGOPSABGLOR-DLBZAZTESA-N 1 3 313.530 3.172 20 30 DGEDHO CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136036364 1094808446 /nfs/dbraw/zinc/80/84/46/1094808446.db2.gz VZRSTELDLYBLJW-CABCVRRESA-N 1 3 322.497 3.104 20 30 DGEDHO C=CCCCCC[C@H](N)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001219022720 1094929062 /nfs/dbraw/zinc/92/90/62/1094929062.db2.gz RAQSUYLPUFYEFY-SFHVURJKSA-N 1 3 317.477 3.193 20 30 DGEDHO C=CCCCCC[C@H](N)C(=O)N(CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221187812 1095212453 /nfs/dbraw/zinc/21/24/53/1095212453.db2.gz GNNNJBKIDYWHOV-BZSNNMDCSA-N 1 3 323.525 3.205 20 30 DGEDHO C=CCOc1cccc(CN2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222315946 1095544600 /nfs/dbraw/zinc/54/46/00/1095544600.db2.gz RQVOKEYYKNWBOE-IBGZPJMESA-N 1 3 300.446 3.360 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC001341148420 1096123570 /nfs/dbraw/zinc/12/35/70/1096123570.db2.gz LJSAYOGSQZGKLU-SJORKVTESA-N 1 3 323.525 3.055 20 30 DGEDHO CN1CC[C@H](OCC[S+](c2ccccc2)c2ccccc2)C1 ZINC001224638019 1096252727 /nfs/dbraw/zinc/25/27/27/1096252727.db2.gz WDHGMPGJJDOOEW-KRWDZBQOSA-N 1 3 314.474 3.444 20 30 DGEDHO C[C@@H](Cc1ccc(C#N)cc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001172297528 1097108680 /nfs/dbraw/zinc/10/86/80/1097108680.db2.gz FZNPXTKOWCGZPG-JXFKEZNVSA-N 1 3 311.473 3.343 20 30 DGEDHO C[C@@H](Cc1ccc(C#N)cc1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001172297528 1097108684 /nfs/dbraw/zinc/10/86/84/1097108684.db2.gz FZNPXTKOWCGZPG-JXFKEZNVSA-N 1 3 311.473 3.343 20 30 DGEDHO C[C@@H](CCCC#N)N1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001172491671 1097167961 /nfs/dbraw/zinc/16/79/61/1097167961.db2.gz IOPYGQRILYZXIZ-HNNXBMFYSA-N 1 3 303.425 3.244 20 30 DGEDHO C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001176760460 1098435071 /nfs/dbraw/zinc/43/50/71/1098435071.db2.gz XKYPQFVWKSANLM-QZTJIDSGSA-N 1 3 323.525 3.092 20 30 DGEDHO C(#Cc1ccccc1CN1CC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC001235088170 1098790925 /nfs/dbraw/zinc/79/09/25/1098790925.db2.gz CMEZXGFYJUCNPA-UHFFFAOYSA-N 1 3 316.448 3.272 20 30 DGEDHO C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001179745830 1099198054 /nfs/dbraw/zinc/19/80/54/1099198054.db2.gz IQWLUMIFRMLGMF-SFHVURJKSA-N 1 3 323.525 3.092 20 30 DGEDHO C[C@@H]1CC(=O)C=C(c2ccc(CN3CCC(C[NH3+])CC3)cc2)C1 ZINC001242745628 1102323609 /nfs/dbraw/zinc/32/36/09/1102323609.db2.gz VCYMRDHDGKJKKG-HNNXBMFYSA-N 1 3 312.457 3.240 20 30 DGEDHO C=CCCCCCC[C@H](O)CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246026343 1104353993 /nfs/dbraw/zinc/35/39/93/1104353993.db2.gz MPTIZPAZRFNBLV-RBUKOAKNSA-N 1 3 308.510 3.482 20 30 DGEDHO C=CCCCCCC[C@@H](O)CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246026345 1104355400 /nfs/dbraw/zinc/35/54/00/1104355400.db2.gz MPTIZPAZRFNBLV-RTBURBONSA-N 1 3 308.510 3.482 20 30 DGEDHO CCCC[C@H]1C[C@@H](NCCCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246327921 1104492802 /nfs/dbraw/zinc/49/28/02/1104492802.db2.gz KFZFXVSOVILAPJ-ROUUACIJSA-N 1 3 315.461 3.228 20 30 DGEDHO C[C@H]1CC[C@@H](C[NH3+])N1C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001246537701 1104583596 /nfs/dbraw/zinc/58/35/96/1104583596.db2.gz KBXLBOGPKXVLGX-JOFJAFTHSA-N 1 3 315.436 3.341 20 30 DGEDHO CCCCCCC[C@@H](CC)N1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246650161 1104647648 /nfs/dbraw/zinc/64/76/48/1104647648.db2.gz HKCDMAOGIFTKFX-MJGOQNOKSA-N 1 3 323.525 3.070 20 30 DGEDHO CCCCCCC[C@H](CC)N1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246650159 1104647934 /nfs/dbraw/zinc/64/79/34/1104647934.db2.gz HKCDMAOGIFTKFX-HKUYNNGSSA-N 1 3 323.525 3.070 20 30 DGEDHO C[C@@H]1C[C@@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)C[C@H](C)N1 ZINC001246805901 1104684392 /nfs/dbraw/zinc/68/43/92/1104684392.db2.gz KXMBAKMEZCYVBS-CWPLJXCYSA-N 1 3 311.473 3.342 20 30 DGEDHO CC[C@H]1C[C@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CCN1 ZINC001246811813 1104687367 /nfs/dbraw/zinc/68/73/67/1104687367.db2.gz RIKCVQZKSQEJGV-VQTJNVASSA-N 1 3 311.473 3.343 20 30 DGEDHO CC[C@H]1C[C@H](N2CCC(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246811813 1104687371 /nfs/dbraw/zinc/68/73/71/1104687371.db2.gz RIKCVQZKSQEJGV-VQTJNVASSA-N 1 3 311.473 3.343 20 30 DGEDHO C(#CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1)c1ccccc1 ZINC001246919382 1104737399 /nfs/dbraw/zinc/73/73/99/1104737399.db2.gz ATXSKSXWPKFTFI-AERCQKQUSA-N 1 3 308.469 3.423 20 30 DGEDHO C(#CC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1)c1ccccc1 ZINC001246919382 1104737406 /nfs/dbraw/zinc/73/74/06/1104737406.db2.gz ATXSKSXWPKFTFI-AERCQKQUSA-N 1 3 308.469 3.423 20 30 DGEDHO C[NH2+][C@@]12CC[C@@](NCc3c[nH]c4cc(C#N)ccc34)(C1)CCC2 ZINC001275786742 1104907253 /nfs/dbraw/zinc/90/72/53/1104907253.db2.gz ZURQTJXTNBNNPD-RBUKOAKNSA-N 1 3 308.429 3.194 20 30 DGEDHO N#C[C@@H]1CC[C@H]([NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)C1 ZINC001254665768 1106127668 /nfs/dbraw/zinc/12/76/68/1106127668.db2.gz PXBHWJOQKSOTOF-AEFFLSMTSA-N 1 3 313.445 3.260 20 30 DGEDHO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001254673742 1106130879 /nfs/dbraw/zinc/13/08/79/1106130879.db2.gz OFHICNDNPFVDSC-WCIQWLHISA-N 1 3 309.457 3.133 20 30 DGEDHO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001254673742 1106130881 /nfs/dbraw/zinc/13/08/81/1106130881.db2.gz OFHICNDNPFVDSC-WCIQWLHISA-N 1 3 309.457 3.133 20 30 DGEDHO C=CCC[C@@H](C)[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC001258720052 1106929002 /nfs/dbraw/zinc/92/90/02/1106929002.db2.gz QIERICZIRMLBIT-GOSISDBHSA-N 1 3 315.505 3.268 20 30 DGEDHO C[N@H+](CCC(C)(C)C#N)CC1CCN(c2ccncc2)CC1 ZINC000346988038 529873518 /nfs/dbraw/zinc/87/35/18/529873518.db2.gz GEPIOOMSOILOLH-UHFFFAOYSA-N 1 3 300.450 3.170 20 30 DGEDHO C[N@@H+](CCC(C)(C)C#N)CC1CCN(c2ccncc2)CC1 ZINC000346988038 529873519 /nfs/dbraw/zinc/87/35/19/529873519.db2.gz GEPIOOMSOILOLH-UHFFFAOYSA-N 1 3 300.450 3.170 20 30 DGEDHO C#CCCOc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000172114430 198041904 /nfs/dbraw/zinc/04/19/04/198041904.db2.gz BJYXMRNIIGEZFE-UHFFFAOYSA-N 1 3 312.457 3.053 20 30 DGEDHO COc1cc(CNCCCC[N@@H+]2CCCC[C@H]2C)ccc1C#N ZINC000281575732 216395492 /nfs/dbraw/zinc/39/54/92/216395492.db2.gz CVMDUVDAZXPZEI-MRXNPFEDSA-N 1 3 315.461 3.311 20 30 DGEDHO COc1cc(CNCCCC[N@H+]2CCCC[C@H]2C)ccc1C#N ZINC000281575732 216395495 /nfs/dbraw/zinc/39/54/95/216395495.db2.gz CVMDUVDAZXPZEI-MRXNPFEDSA-N 1 3 315.461 3.311 20 30 DGEDHO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000347928878 533443649 /nfs/dbraw/zinc/44/36/49/533443649.db2.gz JJSYOPKKYVXVBY-VQIMIIECSA-N 1 3 311.473 3.495 20 30 DGEDHO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000595430304 400148632 /nfs/dbraw/zinc/14/86/32/400148632.db2.gz IGXFZCVGQLAYNS-VQIMIIECSA-N 1 3 311.473 3.343 20 30 DGEDHO C[C@@H](CCC#N)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000602535124 400490708 /nfs/dbraw/zinc/49/07/08/400490708.db2.gz XVLIMXNIQMCAJJ-HNNXBMFYSA-N 1 3 305.491 3.490 20 30 DGEDHO CCCC[N@@H+]1CCCC[C@H]1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602544556 400493299 /nfs/dbraw/zinc/49/32/99/400493299.db2.gz LOIOLZXUKVSZQT-MSOLQXFVSA-N 1 3 321.509 3.330 20 30 DGEDHO CCCC[N@H+]1CCCC[C@H]1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602544556 400493301 /nfs/dbraw/zinc/49/33/01/400493301.db2.gz LOIOLZXUKVSZQT-MSOLQXFVSA-N 1 3 321.509 3.330 20 30 DGEDHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)C(C)C#N ZINC000598153646 400752919 /nfs/dbraw/zinc/75/29/19/400752919.db2.gz OBYISRZYCCEZIR-AWEZNQCLSA-N 1 3 321.852 3.170 20 30 DGEDHO N#Cc1cccc(CCNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000366975902 268244985 /nfs/dbraw/zinc/24/49/85/268244985.db2.gz XCURZJZSXOFLKS-UHFFFAOYSA-N 1 3 311.473 3.487 20 30 DGEDHO N#Cc1cccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000366975902 268244986 /nfs/dbraw/zinc/24/49/86/268244986.db2.gz XCURZJZSXOFLKS-UHFFFAOYSA-N 1 3 311.473 3.487 20 30 DGEDHO C=CCSCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000271536645 432417752 /nfs/dbraw/zinc/41/77/52/432417752.db2.gz XSYQHQPXASFTDY-OAHLLOKOSA-N 1 3 308.491 3.197 20 30 DGEDHO CC(C)(C#N)CCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280443469 433051434 /nfs/dbraw/zinc/05/14/34/433051434.db2.gz NCVBQAKUMCXOTA-KDURUIRLSA-N 1 3 311.473 3.380 20 30 DGEDHO CC(C)(C#N)CCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280443469 433051439 /nfs/dbraw/zinc/05/14/39/433051439.db2.gz NCVBQAKUMCXOTA-KDURUIRLSA-N 1 3 311.473 3.380 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000453354221 433115422 /nfs/dbraw/zinc/11/54/22/433115422.db2.gz NDZQTMXUNLZHCO-LZQZEXGQSA-N 1 3 318.461 3.011 20 30 DGEDHO C[N@H+](Cc1ccc(C#N)cc1)C1CCN(c2ccncc2)CC1 ZINC000376800246 433820228 /nfs/dbraw/zinc/82/02/28/433820228.db2.gz YCZVAJZGZFATHN-UHFFFAOYSA-N 1 3 306.413 3.054 20 30 DGEDHO C[N@@H+](Cc1ccc(C#N)cc1)C1CCN(c2ccncc2)CC1 ZINC000376800246 433820237 /nfs/dbraw/zinc/82/02/37/433820237.db2.gz YCZVAJZGZFATHN-UHFFFAOYSA-N 1 3 306.413 3.054 20 30 DGEDHO N#Cc1ccccc1CSCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422999711 434159576 /nfs/dbraw/zinc/15/95/76/434159576.db2.gz YHEGWMFBHAYXKP-IRXDYDNUSA-N 1 3 303.475 3.041 20 30 DGEDHO C[N@H+](Cc1cccc(C#N)c1)C1CCN(c2ccncc2)CC1 ZINC000367107549 434538150 /nfs/dbraw/zinc/53/81/50/434538150.db2.gz AFWSOBKOBHXQLC-UHFFFAOYSA-N 1 3 306.413 3.054 20 30 DGEDHO C[N@@H+](Cc1cccc(C#N)c1)C1CCN(c2ccncc2)CC1 ZINC000367107549 434538155 /nfs/dbraw/zinc/53/81/55/434538155.db2.gz AFWSOBKOBHXQLC-UHFFFAOYSA-N 1 3 306.413 3.054 20 30 DGEDHO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000530221308 435043951 /nfs/dbraw/zinc/04/39/51/435043951.db2.gz PHPISJKPHVFPEU-XBMUEBEBSA-N 1 3 309.457 3.265 20 30 DGEDHO C[NH+]1CCC2(CCN(CC#Cc3ccc(Cl)cc3)C2)CC1 ZINC000639758342 435410352 /nfs/dbraw/zinc/41/03/52/435410352.db2.gz RRYUIPZQMJTLEO-UHFFFAOYSA-N 1 3 302.849 3.109 20 30 DGEDHO C=CCC[C@@H](CC)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658136621 436385321 /nfs/dbraw/zinc/38/53/21/436385321.db2.gz DQADIZOJKUMKDV-MOPGFXCFSA-N 1 3 302.462 3.088 20 30 DGEDHO C[C@@H]1CN(CC2CC[NH+](CC(C)(C)CCC#N)CC2)C[C@@H](C)O1 ZINC000092587613 337906729 /nfs/dbraw/zinc/90/67/29/337906729.db2.gz JYXAZAPPCFIEGM-IAGOWNOFSA-N 1 3 321.509 3.138 20 30 DGEDHO C=CC[N@@H+](CCCN1CCN(C(C)C)CC1)CC1CCCCC1 ZINC000500130970 340050913 /nfs/dbraw/zinc/05/09/13/340050913.db2.gz VDTHXKZYCLUXDM-UHFFFAOYSA-N 1 3 321.553 3.471 20 30 DGEDHO C=CC[N@H+](CCCN1CCN(C(C)C)CC1)CC1CCCCC1 ZINC000500130970 340050914 /nfs/dbraw/zinc/05/09/14/340050914.db2.gz VDTHXKZYCLUXDM-UHFFFAOYSA-N 1 3 321.553 3.471 20 30 DGEDHO C=CCOCCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352824825 526758138 /nfs/dbraw/zinc/75/81/38/526758138.db2.gz NIZRMIAOUOIXMZ-FQEVSTJZSA-N 1 3 314.473 3.177 20 30 DGEDHO C=CCOCCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352824825 526758142 /nfs/dbraw/zinc/75/81/42/526758142.db2.gz NIZRMIAOUOIXMZ-FQEVSTJZSA-N 1 3 314.473 3.177 20 30 DGEDHO CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000442680067 528146290 /nfs/dbraw/zinc/14/62/90/528146290.db2.gz NHXNRVMJMIXXJF-VQIMIIECSA-N 1 3 315.461 3.052 20 30 DGEDHO CC[C@H](NC1CC[NH+](CCCOC)CC1)c1cccc(C#N)c1 ZINC000902787272 619676344 /nfs/dbraw/zinc/67/63/44/619676344.db2.gz YYYHODYCVAWTSD-IBGZPJMESA-N 1 3 315.461 3.100 20 30 DGEDHO CC[C@@H](C#N)Oc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000774245457 623124153 /nfs/dbraw/zinc/12/41/53/623124153.db2.gz UOSAEJQTFUNINE-FBVQUNGASA-N 1 3 313.445 3.082 20 30 DGEDHO C[C@@H](CC(C)(C)C#N)NCc1ccccc1OCC[NH+](C)C ZINC000924861795 627688589 /nfs/dbraw/zinc/68/85/89/627688589.db2.gz LZXHCCLOZCFHHD-HNNXBMFYSA-N 1 3 303.450 3.045 20 30 DGEDHO C=C(C)C[NH+]1CCC(NC[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000819025143 628080038 /nfs/dbraw/zinc/08/00/38/628080038.db2.gz ZKBNYEMBTVOVCA-KRWDZBQOSA-N 1 3 308.853 3.004 20 30 DGEDHO CCN(CC)[C@H](CNC(=[NH2+])Nc1ccc(OC)cc1)CC(C)C ZINC000303783611 657563439 /nfs/dbraw/zinc/56/34/39/657563439.db2.gz OKSMHQFPFKNGFP-INIZCTEOSA-N 1 3 320.481 3.178 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NC[C@H](C)N2CCCC[C@H]2C)cc1C ZINC000303888534 657572642 /nfs/dbraw/zinc/57/26/42/657572642.db2.gz LMUSREKPQNRHKW-CVEARBPZSA-N 1 3 302.466 3.293 20 30 DGEDHO COc1ccc([C@@H](C[NH3+])CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC001579194395 1191968777 /nfs/dbraw/zinc/96/87/77/1191968777.db2.gz MZYCIGVTQZSMOW-BEFAXECRSA-N 1 3 323.440 3.302 20 30 DGEDHO N#Cc1ccc(C[NH2+]Cc2ccnn2-c2ccncc2)cc1Cl ZINC001620913474 1192592428 /nfs/dbraw/zinc/59/24/28/1192592428.db2.gz IINMSYDZGIDNMP-UHFFFAOYSA-N 1 3 323.787 3.082 20 30 DGEDHO C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001331441071 1178214739 /nfs/dbraw/zinc/21/47/39/1178214739.db2.gz VWACEBYRWKRJHC-IRXDYDNUSA-N 1 3 323.525 3.042 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NC[C@@]2(N(C)C)CCC[C@@H](C)C2)cc1 ZINC000303865681 1199601149 /nfs/dbraw/zinc/60/11/49/1199601149.db2.gz BSUYAICMKSCMSL-CRAIPNDOSA-N 1 3 302.466 3.232 20 30 DGEDHO C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369719 1083280591 /nfs/dbraw/zinc/28/05/91/1083280591.db2.gz RILFAPYANIRZEN-IAGOWNOFSA-N 1 3 323.525 3.090 20 30 DGEDHO C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001155619925 1089188714 /nfs/dbraw/zinc/18/87/14/1089188714.db2.gz CIKQKXAXJLFXQZ-QZTJIDSGSA-N 1 3 323.525 3.042 20 30 DGEDHO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001155619925 1089188721 /nfs/dbraw/zinc/18/87/21/1089188721.db2.gz CIKQKXAXJLFXQZ-QZTJIDSGSA-N 1 3 323.525 3.042 20 30 DGEDHO Cn1cc(CN2CCCC[C@@](C)(C[NH3+])C2)c2cc(C#N)ccc21 ZINC001206573498 1091673311 /nfs/dbraw/zinc/67/33/11/1091673311.db2.gz MCEHDMAQTUEPLQ-IBGZPJMESA-N 1 3 310.445 3.001 20 30 DGEDHO N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952785 1092608429 /nfs/dbraw/zinc/60/84/29/1092608429.db2.gz LMIMRWGNNSHYKY-WTGUMLROSA-N 1 3 309.457 3.275 20 30 DGEDHO N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952785 1092608433 /nfs/dbraw/zinc/60/84/33/1092608433.db2.gz LMIMRWGNNSHYKY-WTGUMLROSA-N 1 3 309.457 3.275 20 30 DGEDHO C=CCCCCN1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001209200430 1092691511 /nfs/dbraw/zinc/69/15/11/1092691511.db2.gz JEXGPZHTWSPWTC-QGZVFWFLSA-N 1 3 322.493 3.082 20 30 DGEDHO C=CCCCCN1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001209200430 1092691516 /nfs/dbraw/zinc/69/15/16/1092691516.db2.gz JEXGPZHTWSPWTC-QGZVFWFLSA-N 1 3 322.493 3.082 20 30 DGEDHO CCCCCCC[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209631882 1092854389 /nfs/dbraw/zinc/85/43/89/1092854389.db2.gz HPIZMNRAIVSBEV-ROUUACIJSA-N 1 3 323.525 3.022 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NCCCN2CCc3ccccc3C2)cc1 ZINC000303904215 1093855671 /nfs/dbraw/zinc/85/56/71/1093855671.db2.gz UVOHKFTUPFFHHN-UHFFFAOYSA-N 1 3 322.456 3.170 20 30 DGEDHO CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135980350 1094773407 /nfs/dbraw/zinc/77/34/07/1094773407.db2.gz ODDRWTBIYHJGFN-IAGOWNOFSA-N 1 3 313.530 3.172 20 30 DGEDHO C=CC[NH2+]C1(CNC(=O)CN(C)CCCCCC)CCCCC1 ZINC001115776110 1095382633 /nfs/dbraw/zinc/38/26/33/1095382633.db2.gz JHCZTAJCJLERFE-UHFFFAOYSA-N 1 3 323.525 3.093 20 30 DGEDHO C=CCOc1ccccc1CN1CCC2(CCC[NH2+]C2)CC1 ZINC001222452530 1095622015 /nfs/dbraw/zinc/62/20/15/1095622015.db2.gz GIALKYOFUKYCHO-UHFFFAOYSA-N 1 3 300.446 3.217 20 30 DGEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001172297427 1097108671 /nfs/dbraw/zinc/10/86/71/1097108671.db2.gz PIPQNZZJDPIUQR-MRXNPFEDSA-N 1 3 311.473 3.486 20 30 DGEDHO COc1cccc(CC2([NH3+])CCN([C@@H](C)CCCC#N)CC2)c1 ZINC001172492892 1097167998 /nfs/dbraw/zinc/16/79/98/1097167998.db2.gz PLCJLPLQJZPVOE-INIZCTEOSA-N 1 3 315.461 3.113 20 30 DGEDHO CCC[NH+](CCC)CCCN1CCN([C@@H](C)CCCC#N)CC1 ZINC001172509802 1097175053 /nfs/dbraw/zinc/17/50/53/1097175053.db2.gz QUQQHHLDULGFRA-IBGZPJMESA-N 1 3 322.541 3.198 20 30 DGEDHO N[C@H]1CC[N@H+](Cc2ccccc2C#Cc2ccccc2)CC[C@H]1F ZINC001206182665 1097287934 /nfs/dbraw/zinc/28/79/34/1097287934.db2.gz CVRVMZZKXISEKV-RTWAWAEBSA-N 1 3 322.427 3.348 20 30 DGEDHO N[C@H]1CC[N@@H+](Cc2ccccc2C#Cc2ccccc2)CC[C@H]1F ZINC001206182665 1097287939 /nfs/dbraw/zinc/28/79/39/1097287939.db2.gz CVRVMZZKXISEKV-RTWAWAEBSA-N 1 3 322.427 3.348 20 30 DGEDHO COC1CC[NH+](C2CCN(C3CCC(CC#N)CC3)CC2)CC1 ZINC001173339380 1097421974 /nfs/dbraw/zinc/42/19/74/1097421974.db2.gz GDOUXYKYHHLXTR-UHFFFAOYSA-N 1 3 319.493 3.034 20 30 DGEDHO C=CCc1cccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1[O-] ZINC001235231617 1098905489 /nfs/dbraw/zinc/90/54/89/1098905489.db2.gz VALDLOJJCSURKS-IBGZPJMESA-N 1 3 314.473 3.475 20 30 DGEDHO C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178693640 1098912106 /nfs/dbraw/zinc/91/21/06/1098912106.db2.gz YOXZNVYUBWGBML-QGZVFWFLSA-N 1 3 323.525 3.092 20 30 DGEDHO CCCCCCC[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202496088 1103803372 /nfs/dbraw/zinc/80/33/72/1103803372.db2.gz NWFSLFMXHJEYRE-QGZVFWFLSA-N 1 3 323.525 3.022 20 30 DGEDHO CCCCN1CCC([N@H+](C)Cc2ccc(OCC#N)cc2)CC1 ZINC001137122885 1103996781 /nfs/dbraw/zinc/99/67/81/1103996781.db2.gz XOKLUWYRYBVIDL-UHFFFAOYSA-N 1 3 315.461 3.285 20 30 DGEDHO CCCCN1CCC([N@@H+](C)Cc2ccc(OCC#N)cc2)CC1 ZINC001137122885 1103996788 /nfs/dbraw/zinc/99/67/88/1103996788.db2.gz XOKLUWYRYBVIDL-UHFFFAOYSA-N 1 3 315.461 3.285 20 30 DGEDHO CCCCCCCC[C@@H](CC)NCc1nnn2c1C[NH2+]CCC2 ZINC001246136856 1104401269 /nfs/dbraw/zinc/40/12/69/1104401269.db2.gz YHDBAQKCWDJCMR-MRXNPFEDSA-N 1 3 321.513 3.390 20 30 DGEDHO C#Cc1cccc(C[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246260882 1104463679 /nfs/dbraw/zinc/46/36/79/1104463679.db2.gz BVIUHBCTHJVDJH-RTWAWAEBSA-N 1 3 304.437 3.121 20 30 DGEDHO CC[C@H]1CC(NCCCOc2ccccc2C#N)C[C@H](CC)[NH2+]1 ZINC001246327085 1104490815 /nfs/dbraw/zinc/49/08/15/1104490815.db2.gz HYHRBWUYCALACT-IRXDYDNUSA-N 1 3 315.461 3.226 20 30 DGEDHO N#CC1(c2ccccc2)CCC([NH2+][C@@H](C2CCC2)C2CNC2)CC1 ZINC001246520996 1104575811 /nfs/dbraw/zinc/57/58/11/1104575811.db2.gz XVJZHGKDNMTTBI-KBWCOIMZSA-N 1 3 323.484 3.368 20 30 DGEDHO C=CCC[C@H](O)CN(Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001252604773 1105801508 /nfs/dbraw/zinc/80/15/08/1105801508.db2.gz ZAEOUDFBPHTCME-IBGZPJMESA-N 1 3 320.452 3.049 20 30 DGEDHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(C)C#N)c1 ZINC000471921504 244268477 /nfs/dbraw/zinc/26/84/77/244268477.db2.gz JGXCHTQYUMYZEY-HNNXBMFYSA-N 1 3 301.434 3.084 20 30 DGEDHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(C)C#N)c1 ZINC000471921504 244268481 /nfs/dbraw/zinc/26/84/81/244268481.db2.gz JGXCHTQYUMYZEY-HNNXBMFYSA-N 1 3 301.434 3.084 20 30 DGEDHO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCN(CC3CC3)C1)CC2 ZINC000596097493 400316478 /nfs/dbraw/zinc/31/64/78/400316478.db2.gz YCAOIVITJQTIEY-XLIONFOSSA-N 1 3 309.457 3.257 20 30 DGEDHO C=CCCSCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000596649721 400472059 /nfs/dbraw/zinc/47/20/59/400472059.db2.gz GFHWZRDZQYFXHJ-FUHWJXTLSA-N 1 3 318.486 3.141 20 30 DGEDHO N#CCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000342724107 229117245 /nfs/dbraw/zinc/11/72/45/229117245.db2.gz DIIXINRUXDWBKS-AZUAARDMSA-N 1 3 309.457 3.201 20 30 DGEDHO N#CCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000342724107 229117246 /nfs/dbraw/zinc/11/72/46/229117246.db2.gz DIIXINRUXDWBKS-AZUAARDMSA-N 1 3 309.457 3.201 20 30 DGEDHO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1F ZINC000403998716 268073967 /nfs/dbraw/zinc/07/39/67/268073967.db2.gz GYLFMDRQDZEXKK-SFHVURJKSA-N 1 3 323.415 3.309 20 30 DGEDHO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000248721364 432314803 /nfs/dbraw/zinc/31/48/03/432314803.db2.gz CIJRAPWBNYJETD-HSALFYBXSA-N 1 3 311.473 3.223 20 30 DGEDHO N#C[C@@H]1CCC[C@@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000248721364 432314807 /nfs/dbraw/zinc/31/48/07/432314807.db2.gz CIJRAPWBNYJETD-HSALFYBXSA-N 1 3 311.473 3.223 20 30 DGEDHO N#C[C@@H]1CCC[C@@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000248721364 432314809 /nfs/dbraw/zinc/31/48/09/432314809.db2.gz CIJRAPWBNYJETD-HSALFYBXSA-N 1 3 311.473 3.223 20 30 DGEDHO CCN1CCC[C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000236866983 432769339 /nfs/dbraw/zinc/76/93/39/432769339.db2.gz BEMHSBMHGFIBOR-GOSISDBHSA-N 1 3 315.461 3.191 20 30 DGEDHO C=CCC[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccco1 ZINC000278983223 432923414 /nfs/dbraw/zinc/92/34/14/432923414.db2.gz POXUQMUXWXFVGB-DLBZAZTESA-N 1 3 306.450 3.113 20 30 DGEDHO C=CCC[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccco1 ZINC000278983223 432923416 /nfs/dbraw/zinc/92/34/16/432923416.db2.gz POXUQMUXWXFVGB-DLBZAZTESA-N 1 3 306.450 3.113 20 30 DGEDHO C=CCC[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000278983226 432924586 /nfs/dbraw/zinc/92/45/86/432924586.db2.gz POXUQMUXWXFVGB-IAGOWNOFSA-N 1 3 306.450 3.113 20 30 DGEDHO C=CCC[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000278983226 432924588 /nfs/dbraw/zinc/92/45/88/432924588.db2.gz POXUQMUXWXFVGB-IAGOWNOFSA-N 1 3 306.450 3.113 20 30 DGEDHO C[NH+]1CCC2(CCCN(Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000374172033 433181221 /nfs/dbraw/zinc/18/12/21/433181221.db2.gz KSJSTVHQPXSQNY-UHFFFAOYSA-N 1 3 301.409 3.005 20 30 DGEDHO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000368967181 434585502 /nfs/dbraw/zinc/58/55/02/434585502.db2.gz VOQHYTNVAMBNSR-INIZCTEOSA-N 1 3 313.445 3.038 20 30 DGEDHO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000368967181 434585507 /nfs/dbraw/zinc/58/55/07/434585507.db2.gz VOQHYTNVAMBNSR-INIZCTEOSA-N 1 3 313.445 3.038 20 30 DGEDHO C[C@@H](C#N)Oc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1 ZINC000368967181 434585510 /nfs/dbraw/zinc/58/55/10/434585510.db2.gz VOQHYTNVAMBNSR-INIZCTEOSA-N 1 3 313.445 3.038 20 30 DGEDHO C=CCOc1cccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000565331456 435277712 /nfs/dbraw/zinc/27/77/12/435277712.db2.gz HQQIMJFLGKBEJN-MJGOQNOKSA-N 1 3 300.446 3.168 20 30 DGEDHO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000565331456 435277718 /nfs/dbraw/zinc/27/77/18/435277718.db2.gz HQQIMJFLGKBEJN-MJGOQNOKSA-N 1 3 300.446 3.168 20 30 DGEDHO C=CC[C@@]1(C(=O)Nc2cccc(CN(CC)CC)c2)CCC[NH2+]1 ZINC000662683994 436378913 /nfs/dbraw/zinc/37/89/13/436378913.db2.gz VHEPJIGYEGXJFF-IBGZPJMESA-N 1 3 315.461 3.165 20 30 DGEDHO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167419 436392883 /nfs/dbraw/zinc/39/28/83/436392883.db2.gz SDUIHROAIRXZGT-IAGOWNOFSA-N 1 3 301.478 3.484 20 30 DGEDHO COc1cc(CN[C@@H](CCC[NH3+])c2ccccc2)ccc1C#N ZINC000415051963 533894750 /nfs/dbraw/zinc/89/47/50/533894750.db2.gz KGHMRIXFNKVKFK-SFHVURJKSA-N 1 3 309.413 3.137 20 30 DGEDHO C=CCOc1ccc(C[N@@H+](CCC)C2CCNCC2)cc1OC ZINC000347107675 526863574 /nfs/dbraw/zinc/86/35/74/526863574.db2.gz OKZFYVBGBHKXDR-UHFFFAOYSA-N 1 3 318.461 3.224 20 30 DGEDHO C=CCOc1ccc(C[N@H+](CCC)C2CCNCC2)cc1OC ZINC000347107675 526863577 /nfs/dbraw/zinc/86/35/77/526863577.db2.gz OKZFYVBGBHKXDR-UHFFFAOYSA-N 1 3 318.461 3.224 20 30 DGEDHO CC(C)(CCC#N)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000174346554 526998619 /nfs/dbraw/zinc/99/86/19/526998619.db2.gz XZSXLAVYVOJGNF-LJQANCHMSA-N 1 3 313.489 3.471 20 30 DGEDHO C=CCCCCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000375759265 527131678 /nfs/dbraw/zinc/13/16/78/527131678.db2.gz XFGBTXLRRDTJCN-UHFFFAOYSA-N 1 3 307.526 3.082 20 30 DGEDHO C#CCOc1ccc([C@@H](C)NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000873236786 623086987 /nfs/dbraw/zinc/08/69/87/623086987.db2.gz DXNFHEJLHFVLTI-MRXNPFEDSA-N 1 3 320.436 3.195 20 30 DGEDHO C=CCC[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccco1 ZINC000873294118 623106288 /nfs/dbraw/zinc/10/62/88/623106288.db2.gz SUHBIXVUQDOIGQ-HZPDHXFCSA-N 1 3 304.434 3.035 20 30 DGEDHO C#CCCCCCCN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000876653449 623671447 /nfs/dbraw/zinc/67/14/47/623671447.db2.gz QRBIYWUWAZIUAH-PMACEKPBSA-N 1 3 319.537 3.061 20 30 DGEDHO C#CCCCCCCN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000876653450 623671456 /nfs/dbraw/zinc/67/14/56/623671456.db2.gz QRBIYWUWAZIUAH-WOJBJXKFSA-N 1 3 319.537 3.061 20 30 DGEDHO C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000876726328 623690701 /nfs/dbraw/zinc/69/07/01/623690701.db2.gz YMWKGDYLWAJKQF-INIZCTEOSA-N 1 3 321.852 3.081 20 30 DGEDHO C[NH+]1CCC2(CCCN(CC#Cc3ccc(Cl)cc3)C2)CC1 ZINC000799177916 626277877 /nfs/dbraw/zinc/27/78/77/626277877.db2.gz ADPILAWXMMJMEZ-UHFFFAOYSA-N 1 3 316.876 3.499 20 30 DGEDHO C#Cc1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000809615273 626926517 /nfs/dbraw/zinc/92/65/17/626926517.db2.gz XQKZDMWVIAGMHQ-JOCHJYFZSA-N 1 3 318.464 3.322 20 30 DGEDHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCCCC(C)(C)C#N ZINC000887135018 627228110 /nfs/dbraw/zinc/22/81/10/627228110.db2.gz UXIRLAKYKVSMRK-INIZCTEOSA-N 1 3 300.450 3.312 20 30 DGEDHO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000161048122 655717726 /nfs/dbraw/zinc/71/77/26/655717726.db2.gz DEXGOOWMOSWOIJ-JQHSSLGASA-N 1 3 300.446 3.222 20 30 DGEDHO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000303899307 657575862 /nfs/dbraw/zinc/57/58/62/657575862.db2.gz RNKYPUYINZAAAH-BBRMVZONSA-N 1 3 302.466 3.150 20 30 DGEDHO CCCCCCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001569528138 1190713600 /nfs/dbraw/zinc/71/36/00/1190713600.db2.gz UCHAVZSRMFGJQH-MSOLQXFVSA-N 1 3 323.525 3.022 20 30 DGEDHO CC(C)[Si](C#CN[C@@H](C)[C@H]1C[NH2+]CCO1)(C(C)C)C(C)C ZINC001170568421 1082686008 /nfs/dbraw/zinc/68/60/08/1082686008.db2.gz ONCFGSCXBBWTMN-DLBZAZTESA-N 1 3 310.558 3.132 20 30 DGEDHO C=CCC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001483338558 1087475511 /nfs/dbraw/zinc/47/55/11/1087475511.db2.gz GGCIQADBEDPRIX-IAGOWNOFSA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001483338558 1087475513 /nfs/dbraw/zinc/47/55/13/1087475513.db2.gz GGCIQADBEDPRIX-IAGOWNOFSA-N 1 3 323.525 3.042 20 30 DGEDHO C#CCOc1ccc(C[N@@H+](C)C2CCN(CCCC)CC2)cc1 ZINC001138560808 1091231133 /nfs/dbraw/zinc/23/11/33/1091231133.db2.gz OTKQWCAIBSLCDJ-UHFFFAOYSA-N 1 3 314.473 3.395 20 30 DGEDHO C#CCOc1ccc(C[N@H+](C)C2CCN(CCCC)CC2)cc1 ZINC001138560808 1091231141 /nfs/dbraw/zinc/23/11/41/1091231141.db2.gz OTKQWCAIBSLCDJ-UHFFFAOYSA-N 1 3 314.473 3.395 20 30 DGEDHO C=C(C)C[N@@H+](CC)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140305574 1091819865 /nfs/dbraw/zinc/81/98/65/1091819865.db2.gz CQQVXRMDJYRFDB-UHFFFAOYSA-N 1 3 301.478 3.227 20 30 DGEDHO C=C(C)C[N@H+](CC)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140305574 1091819871 /nfs/dbraw/zinc/81/98/71/1091819871.db2.gz CQQVXRMDJYRFDB-UHFFFAOYSA-N 1 3 301.478 3.227 20 30 DGEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001210182612 1093070340 /nfs/dbraw/zinc/07/03/40/1093070340.db2.gz ILPFBBGKMKJDHD-SFHVURJKSA-N 1 3 323.525 3.045 20 30 DGEDHO CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146600660 1096068945 /nfs/dbraw/zinc/06/89/45/1096068945.db2.gz HZJJROGJEMUKQN-IRXDYDNUSA-N 1 3 313.530 3.170 20 30 DGEDHO CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146600661 1096069069 /nfs/dbraw/zinc/06/90/69/1096069069.db2.gz HZJJROGJEMUKQN-SJORKVTESA-N 1 3 313.530 3.170 20 30 DGEDHO Cc1c[nH+]ccc1N1CCN([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172312933 1097098141 /nfs/dbraw/zinc/09/81/41/1097098141.db2.gz MHHUYSZSQDAUQA-QGZVFWFLSA-N 1 3 320.440 3.015 20 30 DGEDHO COc1ccccc1CC1([NH3+])CCN([C@H](C)CCCC#N)CC1 ZINC001172493534 1097168784 /nfs/dbraw/zinc/16/87/84/1097168784.db2.gz UKVWPZYYLWXVCV-MRXNPFEDSA-N 1 3 315.461 3.113 20 30 DGEDHO C=CCCC[NH+]1CCC(NC(=O)CN(C)CCCCCC)CC1 ZINC001229641549 1097357938 /nfs/dbraw/zinc/35/79/38/1097357938.db2.gz NIHMBZFKVNMEHI-UHFFFAOYSA-N 1 3 323.525 3.045 20 30 DGEDHO C[NH+]1CCC2(CCN(Cc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC001232115911 1097941706 /nfs/dbraw/zinc/94/17/06/1097941706.db2.gz DEXKWPKUWLODGC-UHFFFAOYSA-N 1 3 303.837 3.129 20 30 DGEDHO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001175571672 1098100302 /nfs/dbraw/zinc/10/03/02/1098100302.db2.gz DPTLYAWXSYBHOP-ROUUACIJSA-N 1 3 323.525 3.090 20 30 DGEDHO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001175571671 1098100390 /nfs/dbraw/zinc/10/03/90/1098100390.db2.gz DPTLYAWXSYBHOP-QZTJIDSGSA-N 1 3 323.525 3.090 20 30 DGEDHO N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC001235423349 1099017524 /nfs/dbraw/zinc/01/75/24/1099017524.db2.gz GCEAVWXFSMUDNA-HZPDHXFCSA-N 1 3 317.864 3.423 20 30 DGEDHO N#Cc1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1Cl ZINC001235430749 1099025102 /nfs/dbraw/zinc/02/51/02/1099025102.db2.gz XTYASOUMMJKWPY-HOTGVXAUSA-N 1 3 317.864 3.423 20 30 DGEDHO N#Cc1ccc2cc(CN3CCC(C4CC[NH2+]CC4)CC3)[nH]c2c1 ZINC001235702471 1099136094 /nfs/dbraw/zinc/13/60/94/1099136094.db2.gz KNTNKYBQAPHNDK-UHFFFAOYSA-N 1 3 322.456 3.251 20 30 DGEDHO C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580453 1099150266 /nfs/dbraw/zinc/15/02/66/1099150266.db2.gz HHNRBQRQPGQFAY-MSOLQXFVSA-N 1 3 323.525 3.092 20 30 DGEDHO C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1CC ZINC001180373048 1099400583 /nfs/dbraw/zinc/40/05/83/1099400583.db2.gz PCABWZWRGRKHJK-GOSISDBHSA-N 1 3 323.525 3.093 20 30 DGEDHO N#Cc1ccc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1F ZINC001236375495 1099565372 /nfs/dbraw/zinc/56/53/72/1099565372.db2.gz YWYLTWDVKRWHTR-MRXNPFEDSA-N 1 3 315.436 3.442 20 30 DGEDHO CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CNCC[C@H]1F ZINC001246001031 1104349765 /nfs/dbraw/zinc/34/97/65/1104349765.db2.gz KWCRIIPXJCZBDK-OKZBNKHCSA-N 1 3 316.505 3.415 20 30 DGEDHO CCCCCCCCCC[C@H](O)CNC[C@@H]1C[NH2+]CC[C@H]1F ZINC001246001031 1104349774 /nfs/dbraw/zinc/34/97/74/1104349774.db2.gz KWCRIIPXJCZBDK-OKZBNKHCSA-N 1 3 316.505 3.415 20 30 DGEDHO C=CCCCCCC[C@@H](O)CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001246071266 1104364244 /nfs/dbraw/zinc/36/42/44/1104364244.db2.gz RGFUNPJYDFSFLV-PKOBYXMFSA-N 1 3 308.510 3.338 20 30 DGEDHO CCCCCCCCC[C@@H](C)NCc1nnn2c1C[NH2+]CCC2 ZINC001246127791 1104398430 /nfs/dbraw/zinc/39/84/30/1104398430.db2.gz BWVHCWKQWYAWLL-MRXNPFEDSA-N 1 3 321.513 3.390 20 30 DGEDHO CCCCCCCCC[C@H](C)N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246626009 1104634278 /nfs/dbraw/zinc/63/42/78/1104634278.db2.gz JDDJGDHTYZLAHA-KRWDZBQOSA-N 1 3 323.525 3.070 20 30 DGEDHO C=CCC[C@@H](C)N1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001246632957 1104638656 /nfs/dbraw/zinc/63/86/56/1104638656.db2.gz CRFAUADFUHUFCD-MRXNPFEDSA-N 1 3 314.473 3.487 20 30 DGEDHO C=CCOc1ccc(C[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC001275956018 1104967570 /nfs/dbraw/zinc/96/75/70/1104967570.db2.gz CQGNASNTLJAXJG-LJQANCHMSA-N 1 3 300.446 3.169 20 30 DGEDHO C=CCOc1ccc(C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC001275956018 1104967572 /nfs/dbraw/zinc/96/75/72/1104967572.db2.gz CQGNASNTLJAXJG-LJQANCHMSA-N 1 3 300.446 3.169 20 30 DGEDHO C=CCCCCC[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276035767 1104993424 /nfs/dbraw/zinc/99/34/24/1104993424.db2.gz JWWSRIPTSIEOHI-KDURUIRLSA-N 1 3 316.493 3.300 20 30 DGEDHO C=CCCCCC[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276035767 1104993431 /nfs/dbraw/zinc/99/34/31/1104993431.db2.gz JWWSRIPTSIEOHI-KDURUIRLSA-N 1 3 316.493 3.300 20 30 DGEDHO CN1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC001254513121 1106088353 /nfs/dbraw/zinc/08/83/53/1106088353.db2.gz AFRJCXILEMSSIG-AWEZNQCLSA-N 1 3 311.351 3.151 20 30 DGEDHO N#C[C@@H]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001254636861 1106119046 /nfs/dbraw/zinc/11/90/46/1106119046.db2.gz NZQJAJBVEHNYOK-LTFPLMDUSA-N 1 3 309.457 3.464 20 30 DGEDHO N#C[C@@H]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001254636861 1106119047 /nfs/dbraw/zinc/11/90/47/1106119047.db2.gz NZQJAJBVEHNYOK-LTFPLMDUSA-N 1 3 309.457 3.464 20 30 DGEDHO N#C[C@H]1CC[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001254668673 1106128688 /nfs/dbraw/zinc/12/86/88/1106128688.db2.gz HTYGRVUVTXHCPQ-OALUTQOASA-N 1 3 309.457 3.277 20 30 DGEDHO C[C@H](NCC1CC[NH+](CC2CC2)CC1)c1ccc(C#N)cc1F ZINC000595104217 400107701 /nfs/dbraw/zinc/10/77/01/400107701.db2.gz QVYRURFGBLLUEW-AWEZNQCLSA-N 1 3 315.436 3.470 20 30 DGEDHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602575609 400501916 /nfs/dbraw/zinc/50/19/16/400501916.db2.gz SBUYLFQACSDPKF-ROUUACIJSA-N 1 3 321.509 3.043 20 30 DGEDHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602575609 400501920 /nfs/dbraw/zinc/50/19/20/400501920.db2.gz SBUYLFQACSDPKF-ROUUACIJSA-N 1 3 321.509 3.043 20 30 DGEDHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602575609 400501924 /nfs/dbraw/zinc/50/19/24/400501924.db2.gz SBUYLFQACSDPKF-ROUUACIJSA-N 1 3 321.509 3.043 20 30 DGEDHO C[C@H](CC1(C#N)CCOCC1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000602515169 400484932 /nfs/dbraw/zinc/48/49/32/400484932.db2.gz VMRHVEXDXMAILY-FGTMMUONSA-N 1 3 321.509 3.043 20 30 DGEDHO C[C@H](CC1(C#N)CCOCC1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000602515169 400484935 /nfs/dbraw/zinc/48/49/35/400484935.db2.gz VMRHVEXDXMAILY-FGTMMUONSA-N 1 3 321.509 3.043 20 30 DGEDHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132023 400565674 /nfs/dbraw/zinc/56/56/74/400565674.db2.gz FRLBBUXXLBIXIG-PKOBYXMFSA-N 1 3 309.457 3.158 20 30 DGEDHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132023 400565679 /nfs/dbraw/zinc/56/56/79/400565679.db2.gz FRLBBUXXLBIXIG-PKOBYXMFSA-N 1 3 309.457 3.158 20 30 DGEDHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132023 400565684 /nfs/dbraw/zinc/56/56/84/400565684.db2.gz FRLBBUXXLBIXIG-PKOBYXMFSA-N 1 3 309.457 3.158 20 30 DGEDHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597132023 400565688 /nfs/dbraw/zinc/56/56/88/400565688.db2.gz FRLBBUXXLBIXIG-PKOBYXMFSA-N 1 3 309.457 3.158 20 30 DGEDHO CC(C)(CCC#N)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000594969179 401212413 /nfs/dbraw/zinc/21/24/13/401212413.db2.gz OCIXUMOUQOLKNT-UHFFFAOYSA-N 1 3 314.477 3.213 20 30 DGEDHO N#Cc1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000192917427 165311153 /nfs/dbraw/zinc/31/11/53/165311153.db2.gz XVSWRVDPANIXQG-MRXNPFEDSA-N 1 3 311.454 3.231 20 30 DGEDHO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCN(CC)C[C@@H]1C)C(C)C ZINC000247029716 432194854 /nfs/dbraw/zinc/19/48/54/432194854.db2.gz MDTVLADZAXHYBN-GBESFXJTSA-N 1 3 307.526 3.005 20 30 DGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000360838657 270004636 /nfs/dbraw/zinc/00/46/36/270004636.db2.gz VCAGZTGTUCAQGU-UZLBHIALSA-N 1 3 309.457 3.400 20 30 DGEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000360838657 270004637 /nfs/dbraw/zinc/00/46/37/270004637.db2.gz VCAGZTGTUCAQGU-UZLBHIALSA-N 1 3 309.457 3.400 20 30 DGEDHO C[C@@H](NCc1cccc(C#N)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000151376174 432240682 /nfs/dbraw/zinc/24/06/82/432240682.db2.gz SHACYZRKQIRTHZ-MRXNPFEDSA-N 1 3 323.440 3.349 20 30 DGEDHO CC[NH+]=C(NC[C@@H]1CCCN(C)[C@H]1c1cccs1)NC(C)C ZINC000247316400 278167999 /nfs/dbraw/zinc/16/79/99/278167999.db2.gz KOBRWKOJVPJITF-GOEBONIOSA-N 1 3 322.522 3.095 20 30 DGEDHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000069674733 431212259 /nfs/dbraw/zinc/21/22/59/431212259.db2.gz XZQDIQQRKGBFRG-MRXNPFEDSA-N 1 3 323.440 3.349 20 30 DGEDHO C#CCOc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000113324966 431341005 /nfs/dbraw/zinc/34/10/05/431341005.db2.gz SZUCEQBAKLPKOY-UHFFFAOYSA-N 1 3 300.446 3.051 20 30 DGEDHO CC1(C#N)CCN(CCCCC[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000356437686 280849420 /nfs/dbraw/zinc/84/94/20/280849420.db2.gz WJLUQUFJNAIUHM-UHFFFAOYSA-N 1 3 316.493 3.408 20 30 DGEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000152999835 432375795 /nfs/dbraw/zinc/37/57/95/432375795.db2.gz JMKYXHYIPNWVRV-OAHLLOKOSA-N 1 3 316.445 3.149 20 30 DGEDHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000175008132 432388383 /nfs/dbraw/zinc/38/83/83/432388383.db2.gz RPDLHZGHYOXOFT-MSOLQXFVSA-N 1 3 315.461 3.332 20 30 DGEDHO Cc1ccc(NC(=[NH2+])NCc2cccc(CN(C)C)c2)cc1C ZINC000264109411 432615389 /nfs/dbraw/zinc/61/53/89/432615389.db2.gz QOKSHNSGWZQGAY-UHFFFAOYSA-N 1 3 310.445 3.292 20 30 DGEDHO C#Cc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cc1 ZINC000290439107 433053144 /nfs/dbraw/zinc/05/31/44/433053144.db2.gz SDBNHNSBLQJNFU-UHFFFAOYSA-N 1 3 305.425 3.069 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449546975 433750623 /nfs/dbraw/zinc/75/06/23/433750623.db2.gz GDRBJMQCXFMDPD-OWYHZJEWSA-N 1 3 306.494 3.353 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000449546975 433750631 /nfs/dbraw/zinc/75/06/31/433750631.db2.gz GDRBJMQCXFMDPD-OWYHZJEWSA-N 1 3 306.494 3.353 20 30 DGEDHO CC[NH+](CC)CC1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000340159697 433943598 /nfs/dbraw/zinc/94/35/98/433943598.db2.gz UOKWIPGCHPQKLC-UHFFFAOYSA-N 1 3 315.461 3.121 20 30 DGEDHO C[NH+](C)Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353416575 434120016 /nfs/dbraw/zinc/12/00/16/434120016.db2.gz YMLPCPYLJUVONQ-HXUWFJFHSA-N 1 3 305.425 3.397 20 30 DGEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000366659918 434476391 /nfs/dbraw/zinc/47/63/91/434476391.db2.gz BNOAHOMXLXSCFZ-LPHOPBHVSA-N 1 3 306.494 3.354 20 30 DGEDHO C=C(C)C[NH+]1CCC(NCc2cc3ccc(F)cc3[nH]2)CC1 ZINC000486680999 435609850 /nfs/dbraw/zinc/60/98/50/435609850.db2.gz YQNSEJPVIIJCCG-UHFFFAOYSA-N 1 3 301.409 3.437 20 30 DGEDHO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000651758564 435817662 /nfs/dbraw/zinc/81/76/62/435817662.db2.gz DZGSKHFUOKPLJR-LSTHTHJFSA-N 1 3 314.473 3.088 20 30 DGEDHO C=CCOc1cccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656786238 436045962 /nfs/dbraw/zinc/04/59/62/436045962.db2.gz QNOCHIDLQRGEAR-IBGZPJMESA-N 1 3 314.473 3.463 20 30 DGEDHO C=CCC[C@H](CC)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658136625 436385162 /nfs/dbraw/zinc/38/51/62/436385162.db2.gz DQADIZOJKUMKDV-OALUTQOASA-N 1 3 302.462 3.088 20 30 DGEDHO CC[C@H](C#N)Oc1cccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925619145 618510822 /nfs/dbraw/zinc/51/08/22/618510822.db2.gz LCOLRAOWBFTLLD-BRWVUGGUSA-N 1 3 315.461 3.363 20 30 DGEDHO CC(C)CC[NH+]1CCC(CN[C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902835668 619682111 /nfs/dbraw/zinc/68/21/11/619682111.db2.gz MYXIJMPMEFGEMR-MRXNPFEDSA-N 1 3 314.477 3.362 20 30 DGEDHO CC[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(C#N)c1 ZINC000902973109 619701422 /nfs/dbraw/zinc/70/14/22/619701422.db2.gz OFSJDPCVXFGOTO-APWZRJJASA-N 1 3 315.461 3.100 20 30 DGEDHO CC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(C#N)c1 ZINC000902973109 619701424 /nfs/dbraw/zinc/70/14/24/619701424.db2.gz OFSJDPCVXFGOTO-APWZRJJASA-N 1 3 315.461 3.100 20 30 DGEDHO C=CCCC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600794 621007135 /nfs/dbraw/zinc/00/71/35/621007135.db2.gz XAOFLFLYVRVISR-IBGZPJMESA-N 1 3 317.477 3.341 20 30 DGEDHO C=CCCC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856600794 621007138 /nfs/dbraw/zinc/00/71/38/621007138.db2.gz XAOFLFLYVRVISR-IBGZPJMESA-N 1 3 317.477 3.341 20 30 DGEDHO C[C@H](C#N)Oc1ccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000116378568 621225189 /nfs/dbraw/zinc/22/51/89/621225189.db2.gz FGJNJPKPUZXTLN-QAPCUYQASA-N 1 3 317.477 3.433 20 30 DGEDHO C#CC[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000756995295 621677712 /nfs/dbraw/zinc/67/77/12/621677712.db2.gz FWVSNLYKTDIZEA-OAQYLSRUSA-N 1 3 322.452 3.481 20 30 DGEDHO C#CCOc1ccccc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000768927899 622486080 /nfs/dbraw/zinc/48/60/80/622486080.db2.gz XTVKKHOYARINES-UHFFFAOYSA-N 1 3 314.473 3.251 20 30 DGEDHO C#CCOc1ccccc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000768927899 622486083 /nfs/dbraw/zinc/48/60/83/622486083.db2.gz XTVKKHOYARINES-UHFFFAOYSA-N 1 3 314.473 3.251 20 30 DGEDHO C#CCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000769471001 622531096 /nfs/dbraw/zinc/53/10/96/622531096.db2.gz PTIVQNQDSACYHB-AEFFLSMTSA-N 1 3 300.446 3.003 20 30 DGEDHO C#CCOc1ccc(C[N@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000769471001 622531097 /nfs/dbraw/zinc/53/10/97/622531097.db2.gz PTIVQNQDSACYHB-AEFFLSMTSA-N 1 3 300.446 3.003 20 30 DGEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000876726330 623690937 /nfs/dbraw/zinc/69/09/37/623690937.db2.gz YMWKGDYLWAJKQF-MRXNPFEDSA-N 1 3 321.852 3.081 20 30 DGEDHO C=CC[C@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000879018966 624409260 /nfs/dbraw/zinc/40/92/60/624409260.db2.gz LPUPIZFAGSXZLW-QFBILLFUSA-N 1 3 317.477 3.340 20 30 DGEDHO C=CC[C@H](C)[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000879018966 624409262 /nfs/dbraw/zinc/40/92/62/624409262.db2.gz LPUPIZFAGSXZLW-QFBILLFUSA-N 1 3 317.477 3.340 20 30 DGEDHO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000131188043 625962692 /nfs/dbraw/zinc/96/26/92/625962692.db2.gz QPZAZJSSTWBBKN-KRWDZBQOSA-N 1 3 314.473 3.470 20 30 DGEDHO C#C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)C(C)(C)C ZINC000809781232 626951958 /nfs/dbraw/zinc/95/19/58/626951958.db2.gz KCWSOANXDBBQJC-LJQANCHMSA-N 1 3 314.473 3.299 20 30 DGEDHO C=CCc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1OC ZINC000817909362 627959396 /nfs/dbraw/zinc/95/93/96/627959396.db2.gz OKWUFBKXJKBAOY-SJORKVTESA-N 1 3 318.461 3.039 20 30 DGEDHO C#CCOc1ccc([C@H](C)NCc2ccccc2C[NH2+]C)cc1 ZINC000844924936 630988265 /nfs/dbraw/zinc/98/82/65/630988265.db2.gz NSQGRDNOBDIZPB-INIZCTEOSA-N 1 3 308.425 3.269 20 30 DGEDHO CCN(CC)CC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849054811 631821059 /nfs/dbraw/zinc/82/10/59/631821059.db2.gz DFPUWCOKBPWZMR-UHFFFAOYSA-N 1 3 302.466 3.282 20 30 DGEDHO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000161048370 655718008 /nfs/dbraw/zinc/71/80/08/655718008.db2.gz DEXGOOWMOSWOIJ-SZMVWBNQSA-N 1 3 300.446 3.222 20 30 DGEDHO C=CCN1CCC(/[NH+]=C\c2ccc(N(CC)CC)cc2O)CC1 ZINC000255695865 655890348 /nfs/dbraw/zinc/89/03/48/655890348.db2.gz OKBUQKVDPSVQTP-HKWRFOASSA-N 1 3 315.461 3.308 20 30 DGEDHO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@H]2C)c1 ZINC000303882710 657571918 /nfs/dbraw/zinc/57/19/18/657571918.db2.gz IIISFKROFIPHLR-HZPDHXFCSA-N 1 3 302.466 3.293 20 30 DGEDHO CC(C)N(CCNC(=[NH2+])Nc1cccc2c1CCCC2)C(C)C ZINC000304648196 657641010 /nfs/dbraw/zinc/64/10/10/657641010.db2.gz FVLVBXGMIBACLB-UHFFFAOYSA-N 1 3 316.493 3.411 20 30 DGEDHO CCC[NH+]1CCC(N(C)CCCOc2ccc(C#N)cc2)CC1 ZINC000171931161 659306149 /nfs/dbraw/zinc/30/61/49/659306149.db2.gz SNMIRYLTTUQCCM-UHFFFAOYSA-N 1 3 315.461 3.133 20 30 DGEDHO C#Cc1ccc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001560514805 1189334549 /nfs/dbraw/zinc/33/45/49/1189334549.db2.gz XIMGMFHWAQUYGV-RTWAWAEBSA-N 1 3 304.437 3.103 20 30 DGEDHO C#Cc1ccc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001560514805 1189334552 /nfs/dbraw/zinc/33/45/52/1189334552.db2.gz XIMGMFHWAQUYGV-RTWAWAEBSA-N 1 3 304.437 3.103 20 30 DGEDHO C=C(C)C[N@@H+](CCCNC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC001691753730 1198199490 /nfs/dbraw/zinc/19/94/90/1198199490.db2.gz BMTYSNRJDALMFH-GOSISDBHSA-N 1 3 323.525 3.042 20 30 DGEDHO C=C(C)C[N@H+](CCCNC(=O)[C@H]1CCCCN1C(C)C)C(C)C ZINC001691753730 1198199494 /nfs/dbraw/zinc/19/94/94/1198199494.db2.gz BMTYSNRJDALMFH-GOSISDBHSA-N 1 3 323.525 3.042 20 30 DGEDHO CCCCN1CCCC[C@H]1CNC(=[NH2+])Nc1ccc(C)cc1 ZINC000303905526 1199601571 /nfs/dbraw/zinc/60/15/71/1199601571.db2.gz ZMJHUJLLYDVLDF-KRWDZBQOSA-N 1 3 302.466 3.376 20 30 DGEDHO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)N(CC)CC ZINC001725242216 1204126261 /nfs/dbraw/zinc/12/62/61/1204126261.db2.gz NQQINKVHLNRADE-MSOLQXFVSA-N 1 3 323.525 3.044 20 30 DGEDHO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)N(CC)CC ZINC001725242216 1204126262 /nfs/dbraw/zinc/12/62/62/1204126262.db2.gz NQQINKVHLNRADE-MSOLQXFVSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCCCCC[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167627559 1082621927 /nfs/dbraw/zinc/62/19/27/1082621927.db2.gz PLOBCLUFWYZHJG-GOSISDBHSA-N 1 3 323.525 3.092 20 30 DGEDHO C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001170751824 1083291888 /nfs/dbraw/zinc/29/18/88/1083291888.db2.gz VYPTWPSPEVBGAK-ROUUACIJSA-N 1 3 323.525 3.090 20 30 DGEDHO CCCCCCC/C=C/CN1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001276457935 1090954749 /nfs/dbraw/zinc/95/47/49/1090954749.db2.gz UXOMUFPEEKETJH-ZHACJKMWSA-N 1 3 321.553 3.472 20 30 DGEDHO C#CCOc1ccc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001206591559 1091681243 /nfs/dbraw/zinc/68/12/43/1091681243.db2.gz SVHWXOGUTGJYQZ-GOSISDBHSA-N 1 3 300.446 3.051 20 30 DGEDHO C=CCCCCCCCCN1CCN(CCC[NH+](C)C)CC1 ZINC001209445344 1092776886 /nfs/dbraw/zinc/77/68/86/1092776886.db2.gz IXMQBTCAJUGALU-UHFFFAOYSA-N 1 3 309.542 3.472 20 30 DGEDHO C=CCc1cccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1[O-] ZINC001276685081 1093182964 /nfs/dbraw/zinc/18/29/64/1093182964.db2.gz SHHFGKAGVXEINN-UHFFFAOYSA-N 1 3 300.446 3.038 20 30 DGEDHO C=CCc1cccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c1[O-] ZINC001276685081 1093182967 /nfs/dbraw/zinc/18/29/67/1093182967.db2.gz SHHFGKAGVXEINN-UHFFFAOYSA-N 1 3 300.446 3.038 20 30 DGEDHO CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136036365 1094808577 /nfs/dbraw/zinc/80/85/77/1094808577.db2.gz VZRSTELDLYBLJW-GJZGRUSLSA-N 1 3 322.497 3.104 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001340107505 1095864834 /nfs/dbraw/zinc/86/48/34/1095864834.db2.gz YRPQZGLNMXHJLR-ULQDDVLXSA-N 1 3 311.514 3.005 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001340107505 1095864848 /nfs/dbraw/zinc/86/48/48/1095864848.db2.gz YRPQZGLNMXHJLR-ULQDDVLXSA-N 1 3 311.514 3.005 20 30 DGEDHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)c(C#N)c1)C2 ZINC001172108743 1097054959 /nfs/dbraw/zinc/05/49/59/1097054959.db2.gz DQDCHQVPSLFTQP-MUJYYYPQSA-N 1 3 303.837 3.317 20 30 DGEDHO C[C@@H](Cc1ccc(C#N)cc1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001172297281 1097108716 /nfs/dbraw/zinc/10/87/16/1097108716.db2.gz CNOXIEWDQZTIAV-QFBILLFUSA-N 1 3 311.473 3.486 20 30 DGEDHO C[C@@H](Cc1ccc(C#N)cc1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001172297281 1097108718 /nfs/dbraw/zinc/10/87/18/1097108718.db2.gz CNOXIEWDQZTIAV-QFBILLFUSA-N 1 3 311.473 3.486 20 30 DGEDHO CC[NH+](CC)C1CCC(NC(=N)c2ccc(Cl)cn2)CC1 ZINC001173103682 1097330298 /nfs/dbraw/zinc/33/02/98/1097330298.db2.gz ONGISZBHHDYWCC-UHFFFAOYSA-N 1 3 308.857 3.093 20 30 DGEDHO C=CCOC1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC001173316638 1097427891 /nfs/dbraw/zinc/42/78/91/1097427891.db2.gz AOCCVTRHFNLMMB-UHFFFAOYSA-N 1 3 306.494 3.497 20 30 DGEDHO C=C(C)COc1ccccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC001235103726 1098802565 /nfs/dbraw/zinc/80/25/65/1098802565.db2.gz KBLDFKIYNIXZBQ-UHFFFAOYSA-N 1 3 300.446 3.217 20 30 DGEDHO N#Cc1ccc(Cl)c(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235426753 1099020778 /nfs/dbraw/zinc/02/07/78/1099020778.db2.gz LDAWFQXWTDCDOJ-HOTGVXAUSA-N 1 3 317.864 3.423 20 30 DGEDHO N#Cc1cc(F)cc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374035 1099561878 /nfs/dbraw/zinc/56/18/78/1099561878.db2.gz OHGHCLCNHILQBN-OAHLLOKOSA-N 1 3 315.436 3.442 20 30 DGEDHO CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001188138713 1099695103 /nfs/dbraw/zinc/69/51/03/1099695103.db2.gz ACEZPSSXAPOFBM-QZTJIDSGSA-N 1 3 323.525 3.022 20 30 DGEDHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(C#Cc4ccccc4)cc3)C[C@H]12 ZINC001236821489 1099805781 /nfs/dbraw/zinc/80/57/81/1099805781.db2.gz VCQRNQPVEXRXDD-FDFHNCONSA-N 1 3 316.448 3.256 20 30 DGEDHO CCCCCCCCCC[C@H](O)CN[C@H](C1CC1)C1C[NH2+]C1 ZINC001246018463 1104353702 /nfs/dbraw/zinc/35/37/02/1104353702.db2.gz FUKJWIHMPYPPKI-RBUKOAKNSA-N 1 3 310.526 3.466 20 30 DGEDHO CCCCCCCC[C@@H](CC)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246088033 1104377205 /nfs/dbraw/zinc/37/72/05/1104377205.db2.gz HRXDAQFRTYGPKA-IXDOHACOSA-N 1 3 302.478 3.168 20 30 DGEDHO CCCCCCCC[C@H](CC)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246088034 1104379158 /nfs/dbraw/zinc/37/91/58/1104379158.db2.gz HRXDAQFRTYGPKA-YESZJQIVSA-N 1 3 302.478 3.168 20 30 DGEDHO CCCCCCC[C@H](CC)[NH2+]C1(CC(=O)OC)CCNCC1 ZINC001246366088 1104511844 /nfs/dbraw/zinc/51/18/44/1104511844.db2.gz QGXSIIDTYUJISH-INIZCTEOSA-N 1 3 312.498 3.400 20 30 DGEDHO CC[C@@H]1C[C@H]([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CCN1 ZINC001246811820 1104686980 /nfs/dbraw/zinc/68/69/80/1104686980.db2.gz RIKCVQZKSQEJGV-WOJBJXKFSA-N 1 3 311.473 3.343 20 30 DGEDHO CC[C@@H]1C[C@H](N2CCC(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246811820 1104686984 /nfs/dbraw/zinc/68/69/84/1104686984.db2.gz RIKCVQZKSQEJGV-WOJBJXKFSA-N 1 3 311.473 3.343 20 30 DGEDHO C[C@@H](CN)C[N@H+](C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254349907 1106057748 /nfs/dbraw/zinc/05/77/48/1106057748.db2.gz VNTUNYULBZILJM-NNGSBXSVSA-N 1 3 303.425 3.056 20 30 DGEDHO C[C@@H](CN)C[N@@H+](C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254349907 1106057753 /nfs/dbraw/zinc/05/77/53/1106057753.db2.gz VNTUNYULBZILJM-NNGSBXSVSA-N 1 3 303.425 3.056 20 30 DGEDHO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001254673741 1106130670 /nfs/dbraw/zinc/13/06/70/1106130670.db2.gz OFHICNDNPFVDSC-FYQPLNBISA-N 1 3 309.457 3.133 20 30 DGEDHO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001254673741 1106130673 /nfs/dbraw/zinc/13/06/73/1106130673.db2.gz OFHICNDNPFVDSC-FYQPLNBISA-N 1 3 309.457 3.133 20 30 DGEDHO CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001316978389 1106841583 /nfs/dbraw/zinc/84/15/83/1106841583.db2.gz WLTPOQWJVPVWNO-ROUUACIJSA-N 1 3 323.525 3.020 20 30 DGEDHO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001316978389 1106841589 /nfs/dbraw/zinc/84/15/89/1106841589.db2.gz WLTPOQWJVPVWNO-ROUUACIJSA-N 1 3 323.525 3.020 20 30 DGEDHO CC[NH+](CC)Cc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000277027273 213247647 /nfs/dbraw/zinc/24/76/47/213247647.db2.gz KNGQUFFTIMKVLA-UHFFFAOYSA-N 1 3 310.445 3.028 20 30 DGEDHO N#Cc1csc(C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000180275956 432083025 /nfs/dbraw/zinc/08/30/25/432083025.db2.gz YOIUSNGYXZKJLJ-UHFFFAOYSA-N 1 3 312.442 3.021 20 30 DGEDHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000181616469 432139226 /nfs/dbraw/zinc/13/92/26/432139226.db2.gz MXAPHMMMCURAHM-BBWFWOEESA-N 1 3 315.461 3.098 20 30 DGEDHO C[C@H](NCc1cccc(C#N)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151368644 196671476 /nfs/dbraw/zinc/67/14/76/196671476.db2.gz HWBUHBOKXVKDFN-INIZCTEOSA-N 1 3 323.440 3.349 20 30 DGEDHO N#CC[C@@H]1CCCN(CCCC[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595621729 400210398 /nfs/dbraw/zinc/21/03/98/400210398.db2.gz XXRONKJYXPBWOD-ROUUACIJSA-N 1 3 302.466 3.018 20 30 DGEDHO N#CC[C@@H]1CCCN(CCCC[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595621729 400210402 /nfs/dbraw/zinc/21/04/02/400210402.db2.gz XXRONKJYXPBWOD-ROUUACIJSA-N 1 3 302.466 3.018 20 30 DGEDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000597012099 400538646 /nfs/dbraw/zinc/53/86/46/400538646.db2.gz KZEQVRXVRCTJTK-LPHOPBHVSA-N 1 3 311.473 3.404 20 30 DGEDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000597012099 400538648 /nfs/dbraw/zinc/53/86/48/400538648.db2.gz KZEQVRXVRCTJTK-LPHOPBHVSA-N 1 3 311.473 3.404 20 30 DGEDHO CC[NH+](CC)CCO[C@H]1CCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000350328142 266115082 /nfs/dbraw/zinc/11/50/82/266115082.db2.gz MQPZJYVVLDYOOF-APWZRJJASA-N 1 3 315.461 3.052 20 30 DGEDHO C[C@H](C#N)Oc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000377628147 433934692 /nfs/dbraw/zinc/93/46/92/433934692.db2.gz OEBJJJSKISSQQD-NAZJXLNTSA-N 1 3 313.445 3.034 20 30 DGEDHO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000377628147 433934702 /nfs/dbraw/zinc/93/47/02/433934702.db2.gz OEBJJJSKISSQQD-NAZJXLNTSA-N 1 3 313.445 3.034 20 30 DGEDHO C=CCOc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423109438 434222569 /nfs/dbraw/zinc/22/25/69/434222569.db2.gz SNKFKSRHYNDXBZ-AWEZNQCLSA-N 1 3 311.429 3.264 20 30 DGEDHO CCC(CC)(CNC(=O)C(C)C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000522996597 434937708 /nfs/dbraw/zinc/93/77/08/434937708.db2.gz XBGKXDPKZQIUIL-GJZGRUSLSA-N 1 3 301.434 3.172 20 30 DGEDHO C=CCOc1cccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000565331447 435276812 /nfs/dbraw/zinc/27/68/12/435276812.db2.gz HQQIMJFLGKBEJN-HKUYNNGSSA-N 1 3 300.446 3.168 20 30 DGEDHO C=CCOc1cccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000565331447 435276816 /nfs/dbraw/zinc/27/68/16/435276816.db2.gz HQQIMJFLGKBEJN-HKUYNNGSSA-N 1 3 300.446 3.168 20 30 DGEDHO C=CC[C@@H]1CC[C@@H](NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000651812714 435835313 /nfs/dbraw/zinc/83/53/13/435835313.db2.gz IXCWWJPDUFHYSK-SJLPKXTDSA-N 1 3 317.477 3.247 20 30 DGEDHO C=CC[C@H]1CC[C@@H](NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000651812713 435835655 /nfs/dbraw/zinc/83/56/55/435835655.db2.gz IXCWWJPDUFHYSK-FUHWJXTLSA-N 1 3 317.477 3.247 20 30 DGEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000661114991 435969179 /nfs/dbraw/zinc/96/91/79/435969179.db2.gz NYXHCXXQFMSXJQ-MOPGFXCFSA-N 1 3 307.526 3.127 20 30 DGEDHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(OCC#N)cc1 ZINC000183207602 533810915 /nfs/dbraw/zinc/81/09/15/533810915.db2.gz SUIVMOSQUGKNHS-HNNXBMFYSA-N 1 3 313.445 3.114 20 30 DGEDHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902746879 619669359 /nfs/dbraw/zinc/66/93/59/619669359.db2.gz ADOBGPCGKBAAGH-BBWFWOEESA-N 1 3 314.477 3.362 20 30 DGEDHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902746879 619669360 /nfs/dbraw/zinc/66/93/60/619669360.db2.gz ADOBGPCGKBAAGH-BBWFWOEESA-N 1 3 314.477 3.362 20 30 DGEDHO C=C(CC)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604185 621006930 /nfs/dbraw/zinc/00/69/30/621006930.db2.gz SWEGQMSXEDRQGS-IBGZPJMESA-N 1 3 317.477 3.341 20 30 DGEDHO C=C(CC)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604185 621006934 /nfs/dbraw/zinc/00/69/34/621006934.db2.gz SWEGQMSXEDRQGS-IBGZPJMESA-N 1 3 317.477 3.341 20 30 DGEDHO N#Cc1ccc(CN2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC000872155984 622837370 /nfs/dbraw/zinc/83/73/70/622837370.db2.gz BXDBSGAMXKHWMM-KDOFPFPSSA-N 1 3 301.434 3.271 20 30 DGEDHO C[C@@H](NCC[C@H]([NH3+])Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000873234991 623086084 /nfs/dbraw/zinc/08/60/84/623086084.db2.gz JQIQFRBCDLXSBA-APWZRJJASA-N 1 3 323.440 3.200 20 30 DGEDHO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)c1 ZINC000817919902 627961205 /nfs/dbraw/zinc/96/12/05/627961205.db2.gz WJSZHPCBZYXGER-BPQIPLTHSA-N 1 3 301.434 3.117 20 30 DGEDHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000844924919 630987973 /nfs/dbraw/zinc/98/79/73/630987973.db2.gz NJIPHTNVKUPIGZ-OAHLLOKOSA-N 1 3 309.413 3.159 20 30 DGEDHO CN(C)[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)C1CCCCC1 ZINC000262328418 657510280 /nfs/dbraw/zinc/51/02/80/657510280.db2.gz XLORAXGXNVMUPU-INIZCTEOSA-N 1 3 324.419 3.202 20 30 DGEDHO CCc1cccc(NC(=[NH2+])NCCCN(C)Cc2ccccc2)c1 ZINC000303783252 657562421 /nfs/dbraw/zinc/56/24/21/657562421.db2.gz ODMDTTBNNQRKML-UHFFFAOYSA-N 1 3 324.472 3.498 20 30 DGEDHO CC[C@@H](CNC(=[NH2+])Nc1ccc(OC(C)C)cc1)N1CCCC1 ZINC000303880370 657571767 /nfs/dbraw/zinc/57/17/67/657571767.db2.gz HDHQTTQGUMHEIW-INIZCTEOSA-N 1 3 318.465 3.075 20 30 DGEDHO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000303899312 657575129 /nfs/dbraw/zinc/57/51/29/657575129.db2.gz RNKYPUYINZAAAH-XJKSGUPXSA-N 1 3 302.466 3.150 20 30 DGEDHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCCCC1(C#N)CCC1 ZINC000931762845 661506275 /nfs/dbraw/zinc/50/62/75/661506275.db2.gz AMYFTAHMOUGNLA-QGZVFWFLSA-N 1 3 312.461 3.456 20 30 DGEDHO CSc1ccc(CNCc2cccc3c2CC[NH2+]C3)cc1C#N ZINC001579387990 1191975089 /nfs/dbraw/zinc/97/50/89/1191975089.db2.gz LKHHTDIAILQXGB-UHFFFAOYSA-N 1 3 323.465 3.216 20 30 DGEDHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)[C@H]2C1 ZINC001660251683 1196462478 /nfs/dbraw/zinc/46/24/78/1196462478.db2.gz ZWRDQCVJNTWDBJ-GRBKOLQVSA-N 1 3 323.484 3.320 20 30 DGEDHO C=CCC[C@H](C)[NH2+]C1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001734012923 1205288360 /nfs/dbraw/zinc/28/83/60/1205288360.db2.gz VJSMDLCJZKAWFL-AOCRQIFASA-N 1 3 323.525 3.041 20 30 DGEDHO C=CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583683 1083309471 /nfs/dbraw/zinc/30/94/71/1083309471.db2.gz NDQBXUCWXVXPES-SJORKVTESA-N 1 3 323.525 3.090 20 30 DGEDHO C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854460 1088386657 /nfs/dbraw/zinc/38/66/57/1088386657.db2.gz CWXKEXDVTJPVRV-QGZVFWFLSA-N 1 3 323.525 3.044 20 30 DGEDHO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854460 1088386671 /nfs/dbraw/zinc/38/66/71/1088386671.db2.gz CWXKEXDVTJPVRV-QGZVFWFLSA-N 1 3 323.525 3.044 20 30 DGEDHO C[NH+]1CCC2(CCN(Cc3cc(F)cc(C#N)c3)CC2)CC1 ZINC001139878687 1091701028 /nfs/dbraw/zinc/70/10/28/1091701028.db2.gz UAOPANPNTIWNOK-UHFFFAOYSA-N 1 3 301.409 3.005 20 30 DGEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001210183281 1093070664 /nfs/dbraw/zinc/07/06/64/1093070664.db2.gz NADZFLQENIZVFJ-SFHVURJKSA-N 1 3 323.525 3.045 20 30 DGEDHO CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135980352 1094773915 /nfs/dbraw/zinc/77/39/15/1094773915.db2.gz ODDRWTBIYHJGFN-SJORKVTESA-N 1 3 313.530 3.172 20 30 DGEDHO C=CCCC[NH2+]C1(CNC(=O)C(C)(C)N(C)CC)CCCCC1 ZINC001115601535 1095295700 /nfs/dbraw/zinc/29/57/00/1095295700.db2.gz FYCOOCGDBNPKRC-UHFFFAOYSA-N 1 3 323.525 3.092 20 30 DGEDHO N#Cc1ccc(CCN2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222161450 1095467164 /nfs/dbraw/zinc/46/71/64/1095467164.db2.gz ORWOEQJGEADJSR-FQEVSTJZSA-N 1 3 311.473 3.347 20 30 DGEDHO C[C@H](Cc1cccc(C#N)c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001171195129 1095691464 /nfs/dbraw/zinc/69/14/64/1095691464.db2.gz PBHRBDFGKARYPR-UZLBHIALSA-N 1 3 311.473 3.343 20 30 DGEDHO C[C@H](Cc1cccc(C#N)c1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001171195129 1095691469 /nfs/dbraw/zinc/69/14/69/1095691469.db2.gz PBHRBDFGKARYPR-UZLBHIALSA-N 1 3 311.473 3.343 20 30 DGEDHO COc1ccc(CC2([NH3+])CCN([C@@H](C)CCCC#N)CC2)cc1 ZINC001172491870 1097167810 /nfs/dbraw/zinc/16/78/10/1097167810.db2.gz KJYZMSNYRNOODW-INIZCTEOSA-N 1 3 315.461 3.113 20 30 DGEDHO Cc1cc(C#N)cc(C)c1CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001175774500 1098166461 /nfs/dbraw/zinc/16/64/61/1098166461.db2.gz FMKHYGZSILCGPQ-KRWDZBQOSA-N 1 3 320.440 3.281 20 30 DGEDHO C=CCc1cccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1[O-] ZINC001235231619 1098905744 /nfs/dbraw/zinc/90/57/44/1098905744.db2.gz VALDLOJJCSURKS-LJQANCHMSA-N 1 3 314.473 3.475 20 30 DGEDHO CCc1cc(C[N@@H+]2CCC[C@@]3(CCCN(C)C3)C2)ccc1C#N ZINC001278036838 1099905534 /nfs/dbraw/zinc/90/55/34/1099905534.db2.gz GRNLDIXHUOEDTC-HXUWFJFHSA-N 1 3 311.473 3.428 20 30 DGEDHO CCc1cc(C[N@H+]2CCC[C@@]3(CCCN(C)C3)C2)ccc1C#N ZINC001278036838 1099905543 /nfs/dbraw/zinc/90/55/43/1099905543.db2.gz GRNLDIXHUOEDTC-HXUWFJFHSA-N 1 3 311.473 3.428 20 30 DGEDHO N#Cc1cc(-c2ccc3c(N)ccnc3c2)cc(C2C[NH2+]C2)c1 ZINC001240356819 1100957028 /nfs/dbraw/zinc/95/70/28/1100957028.db2.gz XJEICIHWZPJQOW-UHFFFAOYSA-N 1 3 300.365 3.042 20 30 DGEDHO CC[C@@H]1C[C@H](NCCCOc2cccc(C#N)c2)C[C@H](CC)[NH2+]1 ZINC001246331469 1104494793 /nfs/dbraw/zinc/49/47/93/1104494793.db2.gz XHCYHZXTFLVJRE-PIIMJCKOSA-N 1 3 315.461 3.226 20 30 DGEDHO N#CC1(c2ccccc2)CCC([NH2+][C@H](C2CCC2)C2CNC2)CC1 ZINC001246520997 1104576431 /nfs/dbraw/zinc/57/64/31/1104576431.db2.gz XVJZHGKDNMTTBI-NYLDSWQDSA-N 1 3 323.484 3.368 20 30 DGEDHO N#CCCN([C@H]1CSC2(C[NH2+]C2)C1)C1CCCCCCC1 ZINC001246768696 1104667591 /nfs/dbraw/zinc/66/75/91/1104667591.db2.gz GLVJGMMSWLVZGQ-MRXNPFEDSA-N 1 3 307.507 3.162 20 30 DGEDHO C=CCC[C@@H](O)CN(Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001252604774 1105802260 /nfs/dbraw/zinc/80/22/60/1105802260.db2.gz ZAEOUDFBPHTCME-LJQANCHMSA-N 1 3 320.452 3.049 20 30 DGEDHO N#Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)cn1 ZINC001255392773 1106240917 /nfs/dbraw/zinc/24/09/17/1106240917.db2.gz LGGGXHAPLXNLPJ-LJQANCHMSA-N 1 3 320.440 3.098 20 30 DGEDHO CC(C)(C)N1CCC([NH2+]CCCOc2cccc(C#N)c2)CC1 ZINC001256564018 1106445683 /nfs/dbraw/zinc/44/56/83/1106445683.db2.gz NKEVONOHWYEETD-UHFFFAOYSA-N 1 3 315.461 3.180 20 30 DGEDHO COc1ccc(CNCCCC[N@@H+]2CCC[C@H](C)C2)cc1C#N ZINC000174272652 198313702 /nfs/dbraw/zinc/31/37/02/198313702.db2.gz YONILRGRXWEKDK-INIZCTEOSA-N 1 3 315.461 3.169 20 30 DGEDHO COc1ccc(CNCCCC[N@H+]2CCC[C@H](C)C2)cc1C#N ZINC000174272652 198313703 /nfs/dbraw/zinc/31/37/03/198313703.db2.gz YONILRGRXWEKDK-INIZCTEOSA-N 1 3 315.461 3.169 20 30 DGEDHO N#Cc1ccc(CNCC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000174305845 198317036 /nfs/dbraw/zinc/31/70/36/198317036.db2.gz ZBTZVYQLXJTYNM-UHFFFAOYSA-N 1 3 309.413 3.153 20 30 DGEDHO CC(C)[NH+]1CCC(NCCSCc2ccccc2C#N)CC1 ZINC000170670691 432076603 /nfs/dbraw/zinc/07/66/03/432076603.db2.gz FCPPHDIEZDHYRF-UHFFFAOYSA-N 1 3 317.502 3.254 20 30 DGEDHO CC1CC[NH+](C2CCC(NCc3cccc(C#N)n3)CC2)CC1 ZINC000602582527 400504052 /nfs/dbraw/zinc/50/40/52/400504052.db2.gz NAKMYYVDUHWXQT-UHFFFAOYSA-N 1 3 312.461 3.086 20 30 DGEDHO C[C@@H](CC1(C#N)CCOCC1)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000602517680 400485794 /nfs/dbraw/zinc/48/57/94/400485794.db2.gz DHBWWRZKTLYIMT-ZIFCJYIRSA-N 1 3 321.509 3.185 20 30 DGEDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000597012101 400539079 /nfs/dbraw/zinc/53/90/79/400539079.db2.gz KZEQVRXVRCTJTK-VQIMIIECSA-N 1 3 311.473 3.404 20 30 DGEDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000597012101 400539083 /nfs/dbraw/zinc/53/90/83/400539083.db2.gz KZEQVRXVRCTJTK-VQIMIIECSA-N 1 3 311.473 3.404 20 30 DGEDHO N#CCC1(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC000602834336 400587097 /nfs/dbraw/zinc/58/70/97/400587097.db2.gz YSQSNWSYPAUGHS-HXUWFJFHSA-N 1 3 309.457 3.278 20 30 DGEDHO N#CCC1(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC000602834336 400587103 /nfs/dbraw/zinc/58/71/03/400587103.db2.gz YSQSNWSYPAUGHS-HXUWFJFHSA-N 1 3 309.457 3.278 20 30 DGEDHO C=CC[C@@H](C)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000150929100 432202915 /nfs/dbraw/zinc/20/29/15/432202915.db2.gz UARGCNYCBNFJOF-MRXNPFEDSA-N 1 3 301.478 3.271 20 30 DGEDHO N#Cc1ccc(CNCC2CC[NH+](Cc3cccs3)CC2)o1 ZINC000174324551 432336853 /nfs/dbraw/zinc/33/68/53/432336853.db2.gz XTWPNCXNHZWSCL-UHFFFAOYSA-N 1 3 315.442 3.215 20 30 DGEDHO C=CCSCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000271536643 432418694 /nfs/dbraw/zinc/41/86/94/432418694.db2.gz XSYQHQPXASFTDY-HNNXBMFYSA-N 1 3 308.491 3.197 20 30 DGEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cc(C#N)cs2)C1 ZINC000177685818 432649855 /nfs/dbraw/zinc/64/98/55/432649855.db2.gz KSDKNCJAZMMENY-GASCZTMLSA-N 1 3 305.491 3.467 20 30 DGEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cc(C#N)cs2)C1 ZINC000177685818 432649860 /nfs/dbraw/zinc/64/98/60/432649860.db2.gz KSDKNCJAZMMENY-GASCZTMLSA-N 1 3 305.491 3.467 20 30 DGEDHO C=C(C)C[NH+]1CCC(NCc2cc3c(cccc3F)[nH]2)CC1 ZINC000436237177 433910938 /nfs/dbraw/zinc/91/09/38/433910938.db2.gz CGQGHXYCMIZHBE-UHFFFAOYSA-N 1 3 301.409 3.437 20 30 DGEDHO C=CC[C@H](C)[C@H](C)[NH2+]CC1(N)CCN(Cc2ccccc2)CC1 ZINC000423545483 434485802 /nfs/dbraw/zinc/48/58/02/434485802.db2.gz CRCYLHXVHWHVPQ-ROUUACIJSA-N 1 3 315.505 3.170 20 30 DGEDHO CC(C)(CC#N)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000459734032 434685175 /nfs/dbraw/zinc/68/51/75/434685175.db2.gz RGDRFIVQOGSMLB-GUDVDZBRSA-N 1 3 311.473 3.426 20 30 DGEDHO CC(C)(CC#N)CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000459734032 434685182 /nfs/dbraw/zinc/68/51/82/434685182.db2.gz RGDRFIVQOGSMLB-GUDVDZBRSA-N 1 3 311.473 3.426 20 30 DGEDHO CC(C)(CC#N)CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000459734032 434685187 /nfs/dbraw/zinc/68/51/87/434685187.db2.gz RGDRFIVQOGSMLB-GUDVDZBRSA-N 1 3 311.473 3.426 20 30 DGEDHO C=CCOCCN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638970186 435123538 /nfs/dbraw/zinc/12/35/38/435123538.db2.gz PAHMVBOPMOKTBL-IEBWSBKVSA-N 1 3 300.446 3.147 20 30 DGEDHO C=CCOCCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638970186 435123540 /nfs/dbraw/zinc/12/35/40/435123540.db2.gz PAHMVBOPMOKTBL-IEBWSBKVSA-N 1 3 300.446 3.147 20 30 DGEDHO C[NH+]1CCC2(CCN(CC#Cc3cccc(Cl)c3)C2)CC1 ZINC000639756556 435409946 /nfs/dbraw/zinc/40/99/46/435409946.db2.gz WWBCQWMSRKGYHC-UHFFFAOYSA-N 1 3 302.849 3.109 20 30 DGEDHO C=CCOc1ccc(CN[C@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000666952250 436314505 /nfs/dbraw/zinc/31/45/05/436314505.db2.gz MORQXXODEOSYIQ-INIZCTEOSA-N 1 3 306.837 3.137 20 30 DGEDHO CC1CC[NH+](C2CCC(NC[C@H](C#N)CCC#N)CC2)CC1 ZINC000572714586 332653975 /nfs/dbraw/zinc/65/39/75/332653975.db2.gz QGYDDTINJQYBRX-AOCRQIFASA-N 1 3 302.466 3.063 20 30 DGEDHO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000347928874 533916943 /nfs/dbraw/zinc/91/69/43/533916943.db2.gz JJSYOPKKYVXVBY-LPHOPBHVSA-N 1 3 311.473 3.495 20 30 DGEDHO C=CCOc1ccccc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347232057 526932446 /nfs/dbraw/zinc/93/24/46/526932446.db2.gz YMUDKGDXERKFHC-SFHVURJKSA-N 1 3 300.446 3.215 20 30 DGEDHO C=CCOCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000679724359 548945052 /nfs/dbraw/zinc/94/50/52/548945052.db2.gz VENFBINQSKUODZ-XUVXKRRUSA-N 1 3 314.473 3.079 20 30 DGEDHO C=CCOCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000679724359 548945053 /nfs/dbraw/zinc/94/50/53/548945053.db2.gz VENFBINQSKUODZ-XUVXKRRUSA-N 1 3 314.473 3.079 20 30 DGEDHO C=CCOCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000679724359 548945055 /nfs/dbraw/zinc/94/50/55/548945055.db2.gz VENFBINQSKUODZ-XUVXKRRUSA-N 1 3 314.473 3.079 20 30 DGEDHO C=CCOc1ccccc1C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000685462781 549765446 /nfs/dbraw/zinc/76/54/46/549765446.db2.gz AIAFYOUNLVJZLY-GOSISDBHSA-N 1 3 314.473 3.415 20 30 DGEDHO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000685462781 549765447 /nfs/dbraw/zinc/76/54/47/549765447.db2.gz AIAFYOUNLVJZLY-GOSISDBHSA-N 1 3 314.473 3.415 20 30 DGEDHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000731214036 574545476 /nfs/dbraw/zinc/54/54/76/574545476.db2.gz QWMBPDBMFZLBGC-UHFFFAOYSA-N 1 3 315.461 3.141 20 30 DGEDHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000731214036 574545477 /nfs/dbraw/zinc/54/54/77/574545477.db2.gz QWMBPDBMFZLBGC-UHFFFAOYSA-N 1 3 315.461 3.141 20 30 DGEDHO CCCCCCCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000749461331 575658424 /nfs/dbraw/zinc/65/84/24/575658424.db2.gz VODXNLHMUCLFAC-UHFFFAOYSA-N 1 3 309.542 3.447 20 30 DGEDHO CC[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(C#N)c1 ZINC000902973112 619701390 /nfs/dbraw/zinc/70/13/90/619701390.db2.gz OFSJDPCVXFGOTO-VQIMIIECSA-N 1 3 315.461 3.100 20 30 DGEDHO CC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc(C#N)c1 ZINC000902973112 619701392 /nfs/dbraw/zinc/70/13/92/619701392.db2.gz OFSJDPCVXFGOTO-VQIMIIECSA-N 1 3 315.461 3.100 20 30 DGEDHO C#CCOc1ccc(C[NH2+]C2CCN(CCCC)CC2)cc1 ZINC000113330185 620904586 /nfs/dbraw/zinc/90/45/86/620904586.db2.gz GGCVAFGQBVDULA-UHFFFAOYSA-N 1 3 300.446 3.053 20 30 DGEDHO CCN1CC[C@H]([N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)C[C@@H]1C ZINC000769469961 622530969 /nfs/dbraw/zinc/53/09/69/622530969.db2.gz ILVBLTSYGBDULM-JZXOWHBKSA-N 1 3 315.461 3.282 20 30 DGEDHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)C[C@@H]1C ZINC000769469961 622530972 /nfs/dbraw/zinc/53/09/72/622530972.db2.gz ILVBLTSYGBDULM-JZXOWHBKSA-N 1 3 315.461 3.282 20 30 DGEDHO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000125807562 623562555 /nfs/dbraw/zinc/56/25/55/623562555.db2.gz WEWPSDWOXLNYTA-ROUUACIJSA-N 1 3 314.473 3.470 20 30 DGEDHO C[NH+]1CCC2(CCN(Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000877683949 623991274 /nfs/dbraw/zinc/99/12/74/623991274.db2.gz CSAVWKGVJYXEJA-UHFFFAOYSA-N 1 3 301.409 3.005 20 30 DGEDHO CSc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1C#N ZINC000886689866 627191152 /nfs/dbraw/zinc/19/11/52/627191152.db2.gz JFIFDMLMIOAKFH-GVDBMIGSSA-N 1 3 315.486 3.243 20 30 DGEDHO CSc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1C#N ZINC000886689866 627191154 /nfs/dbraw/zinc/19/11/54/627191154.db2.gz JFIFDMLMIOAKFH-GVDBMIGSSA-N 1 3 315.486 3.243 20 30 DGEDHO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CCCN2CC)cc1 ZINC000303712044 657557945 /nfs/dbraw/zinc/55/79/45/657557945.db2.gz PRKNFZDCIIDURU-WMLDXEAASA-N 1 3 302.466 3.411 20 30 DGEDHO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)cc1Cl ZINC001461831402 1182865028 /nfs/dbraw/zinc/86/50/28/1182865028.db2.gz STLXIRUHMZOBSX-YQQAZPJKSA-N 1 3 320.864 3.335 20 30 DGEDHO C=C(C)COc1ccccc1CN1CCC2(C[NH+](C)C2)CC1 ZINC001138665959 1091281288 /nfs/dbraw/zinc/28/12/88/1091281288.db2.gz DPMSHWSQEYYBQY-UHFFFAOYSA-N 1 3 300.446 3.169 20 30 DGEDHO N#Cc1ccc(CCN2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222161451 1095467020 /nfs/dbraw/zinc/46/70/20/1095467020.db2.gz ORWOEQJGEADJSR-HXUWFJFHSA-N 1 3 311.473 3.347 20 30 DGEDHO C=CCOc1cccc(CN2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222315947 1095545914 /nfs/dbraw/zinc/54/59/14/1095545914.db2.gz RQVOKEYYKNWBOE-LJQANCHMSA-N 1 3 300.446 3.360 20 30 DGEDHO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001171193718 1095695083 /nfs/dbraw/zinc/69/50/83/1095695083.db2.gz YNMWZLOXQDYQAN-MRXNPFEDSA-N 1 3 311.473 3.486 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001340107501 1095866244 /nfs/dbraw/zinc/86/62/44/1095866244.db2.gz YRPQZGLNMXHJLR-BBWFWOEESA-N 1 3 311.514 3.005 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001340107501 1095866261 /nfs/dbraw/zinc/86/62/61/1095866261.db2.gz YRPQZGLNMXHJLR-BBWFWOEESA-N 1 3 311.514 3.005 20 30 DGEDHO C[C@H](Cc1ccc(C#N)cc1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001172297282 1097108909 /nfs/dbraw/zinc/10/89/09/1097108909.db2.gz CNOXIEWDQZTIAV-VQIMIIECSA-N 1 3 311.473 3.486 20 30 DGEDHO C[C@H](Cc1ccc(C#N)cc1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001172297282 1097108912 /nfs/dbraw/zinc/10/89/12/1097108912.db2.gz CNOXIEWDQZTIAV-VQIMIIECSA-N 1 3 311.473 3.486 20 30 DGEDHO C[C@H](CCCC#N)N1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001172486244 1097152325 /nfs/dbraw/zinc/15/23/25/1097152325.db2.gz CNFFXRSTKGGKPW-OAHLLOKOSA-N 1 3 303.425 3.244 20 30 DGEDHO C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001176760462 1098435144 /nfs/dbraw/zinc/43/51/44/1098435144.db2.gz XKYPQFVWKSANLM-ZWKOTPCHSA-N 1 3 323.525 3.092 20 30 DGEDHO C=C(C)C[NH2+]CCCCCCNC(=O)C(C)(C)N1CCCCC1 ZINC001178487060 1098850580 /nfs/dbraw/zinc/85/05/80/1098850580.db2.gz MVTNQUBPMYYMBW-UHFFFAOYSA-N 1 3 323.525 3.093 20 30 DGEDHO C#CCN(Cc1ccc2c(c1)CC[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC001235834090 1099199506 /nfs/dbraw/zinc/19/95/06/1099199506.db2.gz KTDNRKGIQJUADQ-JOCHJYFZSA-N 1 3 316.448 3.455 20 30 DGEDHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccccc3C#Cc3ccccc3)C[C@@H]12 ZINC001236829865 1099814559 /nfs/dbraw/zinc/81/45/59/1099814559.db2.gz LICQSOVMBHFQBM-YPAWHYETSA-N 1 3 316.448 3.256 20 30 DGEDHO C=CCCCCCC[C@@H](O)CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246026339 1104355240 /nfs/dbraw/zinc/35/52/40/1104355240.db2.gz MPTIZPAZRFNBLV-MOPGFXCFSA-N 1 3 308.510 3.482 20 30 DGEDHO CCCCCCCCC[C@@H](C)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246082398 1104376750 /nfs/dbraw/zinc/37/67/50/1104376750.db2.gz LTLLMBNRFAXLEJ-IXDOHACOSA-N 1 3 302.478 3.168 20 30 DGEDHO C=CCCCCCCCCN1CC2(CCN2CC[NH+](C)C)C1 ZINC001276047305 1105005013 /nfs/dbraw/zinc/00/50/13/1105005013.db2.gz LERWVPZFYAVJBQ-UHFFFAOYSA-N 1 3 307.526 3.225 20 30 DGEDHO N#CC1CCC(N2CCC([NH3+])(Cc3ccccc3F)CC2)CC1 ZINC001256962303 1106516069 /nfs/dbraw/zinc/51/60/69/1106516069.db2.gz GUGVFISPPZWISL-UHFFFAOYSA-N 1 3 315.436 3.244 20 30 DGEDHO CCCCCCCC[C@H](N)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001263126971 1107955036 /nfs/dbraw/zinc/95/50/36/1107955036.db2.gz BPSGGFMRDJMYMN-SQNIBIBYSA-N 1 3 323.525 3.055 20 30 DGEDHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000174429691 198333600 /nfs/dbraw/zinc/33/36/00/198333600.db2.gz MNFVLGUNVGTVRM-MRXNPFEDSA-N 1 3 323.440 3.349 20 30 DGEDHO CN(Cc1ccc(OCC[NH+](C)C)cc1)Cc1cccc(C#N)c1 ZINC000611254321 400364874 /nfs/dbraw/zinc/36/48/74/400364874.db2.gz GSRVSXVEOMYRRN-UHFFFAOYSA-N 1 3 323.440 3.131 20 30 DGEDHO CC(C)(CC#N)CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000590970655 400471655 /nfs/dbraw/zinc/47/16/55/400471655.db2.gz ZOVGLXJCICPUGZ-UHFFFAOYSA-N 1 3 315.461 3.191 20 30 DGEDHO C=C1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000271183884 432346738 /nfs/dbraw/zinc/34/67/38/432346738.db2.gz YGYPMMNHHLYMOU-UHFFFAOYSA-N 1 3 313.489 3.369 20 30 DGEDHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(OCC#N)cc1 ZINC000192940538 432430119 /nfs/dbraw/zinc/43/01/19/432430119.db2.gz QFSAPLNWVMZLRP-INIZCTEOSA-N 1 3 301.434 3.116 20 30 DGEDHO C#Cc1ccc(CNCc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000289182870 432930692 /nfs/dbraw/zinc/93/06/92/432930692.db2.gz GFHVDNOWHKOOMB-UHFFFAOYSA-N 1 3 322.452 3.288 20 30 DGEDHO C[N@@H+](Cc1ccc(C#N)cc1)CC1CCN(c2ccncc2)CC1 ZINC000354879693 433338252 /nfs/dbraw/zinc/33/82/52/433338252.db2.gz KXCUIGBORIVKES-UHFFFAOYSA-N 1 3 320.440 3.302 20 30 DGEDHO C[N@H+](Cc1ccc(C#N)cc1)CC1CCN(c2ccncc2)CC1 ZINC000354879693 433338262 /nfs/dbraw/zinc/33/82/62/433338262.db2.gz KXCUIGBORIVKES-UHFFFAOYSA-N 1 3 320.440 3.302 20 30 DGEDHO CCCCCCCCCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000375463032 433473454 /nfs/dbraw/zinc/47/34/54/433473454.db2.gz XIHQRJXJVQLQCG-LJQANCHMSA-N 1 3 309.542 3.449 20 30 DGEDHO CCCCCCCCCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000375463032 433473465 /nfs/dbraw/zinc/47/34/65/433473465.db2.gz XIHQRJXJVQLQCG-LJQANCHMSA-N 1 3 309.542 3.449 20 30 DGEDHO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000366659920 434476328 /nfs/dbraw/zinc/47/63/28/434476328.db2.gz BNOAHOMXLXSCFZ-VQIMIIECSA-N 1 3 306.494 3.354 20 30 DGEDHO N#CCC1(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000366892131 434530579 /nfs/dbraw/zinc/53/05/79/434530579.db2.gz YLIGWVOGUOAOSK-IPMKNSEASA-N 1 3 309.457 3.180 20 30 DGEDHO N#CCC1(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000366892131 434530589 /nfs/dbraw/zinc/53/05/89/434530589.db2.gz YLIGWVOGUOAOSK-IPMKNSEASA-N 1 3 309.457 3.180 20 30 DGEDHO N#CCC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000366892131 434530595 /nfs/dbraw/zinc/53/05/95/434530595.db2.gz YLIGWVOGUOAOSK-IPMKNSEASA-N 1 3 309.457 3.180 20 30 DGEDHO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000424321630 434697130 /nfs/dbraw/zinc/69/71/30/434697130.db2.gz HIFBTVAIJWBIBD-SWBPCFCJSA-N 1 3 309.457 3.179 20 30 DGEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000424321630 434697135 /nfs/dbraw/zinc/69/71/35/434697135.db2.gz HIFBTVAIJWBIBD-SWBPCFCJSA-N 1 3 309.457 3.179 20 30 DGEDHO N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000424321630 434697143 /nfs/dbraw/zinc/69/71/43/434697143.db2.gz HIFBTVAIJWBIBD-SWBPCFCJSA-N 1 3 309.457 3.179 20 30 DGEDHO CCC(CC)(CNC(=O)C(C)C#N)[NH2+][C@H](C)c1ccccc1 ZINC000522996598 434936316 /nfs/dbraw/zinc/93/63/16/434936316.db2.gz XBGKXDPKZQIUIL-HUUCEWRRSA-N 1 3 301.434 3.172 20 30 DGEDHO C=CCCOCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180169034 527366399 /nfs/dbraw/zinc/36/63/99/527366399.db2.gz KAIAYGIEYYGLJX-IHWFROFDSA-N 1 3 314.473 3.364 20 30 DGEDHO C=CCCOCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180169034 527366402 /nfs/dbraw/zinc/36/64/02/527366402.db2.gz KAIAYGIEYYGLJX-IHWFROFDSA-N 1 3 314.473 3.364 20 30 DGEDHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442708940 528151631 /nfs/dbraw/zinc/15/16/31/528151631.db2.gz MKWWQYMMTCKAFG-ROUUACIJSA-N 1 3 315.461 3.189 20 30 DGEDHO C#C[C@@H](NCC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000894669465 618417429 /nfs/dbraw/zinc/41/74/29/618417429.db2.gz SRXXSWABRMSLEG-MRXNPFEDSA-N 1 3 321.262 3.055 20 30 DGEDHO C=CCC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(Cl)c1 ZINC000903100451 619716431 /nfs/dbraw/zinc/71/64/31/619716431.db2.gz SMOHZHMILGWBDA-KRWDZBQOSA-N 1 3 322.880 3.394 20 30 DGEDHO CC(C)(NCc1cc2c(s1)CC[NH2+]C2)c1cccc(C#N)c1 ZINC000873213694 623077186 /nfs/dbraw/zinc/07/71/86/623077186.db2.gz MQRDVTPHWOGSQG-UHFFFAOYSA-N 1 3 311.454 3.290 20 30 DGEDHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(OCC#N)cc1 ZINC000873238030 623086513 /nfs/dbraw/zinc/08/65/13/623086513.db2.gz VRTIQUMTXZTJKC-HNNXBMFYSA-N 1 3 321.424 3.085 20 30 DGEDHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000873244244 623089635 /nfs/dbraw/zinc/08/96/35/623089635.db2.gz KORXFSXIPJGGPE-GOEBONIOSA-N 1 3 301.434 3.018 20 30 DGEDHO C[NH+]1CCC2(CCN(Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000879249039 624463958 /nfs/dbraw/zinc/46/39/58/624463958.db2.gz CISJHDXQEBOBKJ-UHFFFAOYSA-N 1 3 301.409 3.005 20 30 DGEDHO C[C@H]1CN(CCCCC(C)(C)C#N)CCN1c1cc[nH+]cc1 ZINC000880259909 624874782 /nfs/dbraw/zinc/87/47/82/624874782.db2.gz LKDWUJWPFGOVCB-INIZCTEOSA-N 1 3 300.450 3.312 20 30 DGEDHO C=CCCC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccccc1 ZINC000883192477 625964775 /nfs/dbraw/zinc/96/47/75/625964775.db2.gz ZYBMOWRGQCSCIG-GOSISDBHSA-N 1 3 302.462 3.130 20 30 DGEDHO C#CCCOc1ccc(C[N@H+](CC)CCCN2CCCC2)cc1 ZINC000809750408 626946335 /nfs/dbraw/zinc/94/63/35/626946335.db2.gz UWAUVZCOHSIYFG-UHFFFAOYSA-N 1 3 314.473 3.397 20 30 DGEDHO C#CCCOc1ccc(C[N@@H+](CC)CCCN2CCCC2)cc1 ZINC000809750408 626946338 /nfs/dbraw/zinc/94/63/38/626946338.db2.gz UWAUVZCOHSIYFG-UHFFFAOYSA-N 1 3 314.473 3.397 20 30 DGEDHO C=C(C)C[NH+]1CCC(NC[C@H](O)c2ccccc2Cl)CC1 ZINC000819025113 628080404 /nfs/dbraw/zinc/08/04/04/628080404.db2.gz YHDQSRPYMJVYEM-KRWDZBQOSA-N 1 3 308.853 3.004 20 30 DGEDHO C#Cc1cccc(CNC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000825225979 628739599 /nfs/dbraw/zinc/73/95/99/628739599.db2.gz CQXICEPPSUHVMD-UHFFFAOYSA-N 1 3 304.437 3.422 20 30 DGEDHO C#Cc1cccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000834904647 629804822 /nfs/dbraw/zinc/80/48/22/629804822.db2.gz ZZSHKGNXDGTQRL-KRWDZBQOSA-N 1 3 322.452 3.459 20 30 DGEDHO C#CCOc1ccc([C@@H](C)NCc2ccccc2C[NH2+]C)cc1 ZINC000844924937 630988191 /nfs/dbraw/zinc/98/81/91/630988191.db2.gz NSQGRDNOBDIZPB-MRXNPFEDSA-N 1 3 308.425 3.269 20 30 DGEDHO CN(C)[C@@H](C[NH+]=C(Nc1ccccc1)N1CCCCC1)C1CC1 ZINC000849068962 631824992 /nfs/dbraw/zinc/82/49/92/631824992.db2.gz DANVATPTEWOPSS-SFHVURJKSA-N 1 3 314.477 3.281 20 30 DGEDHO C#CCOc1ccc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000236987592 657037817 /nfs/dbraw/zinc/03/78/17/657037817.db2.gz JCKNQCIVBMXPDL-SFHVURJKSA-N 1 3 302.462 3.155 20 30 DGEDHO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CCCN2CC)cc1 ZINC000303712045 657557189 /nfs/dbraw/zinc/55/71/89/657557189.db2.gz PRKNFZDCIIDURU-YOEHRIQHSA-N 1 3 302.466 3.411 20 30 DGEDHO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000303899309 657574307 /nfs/dbraw/zinc/57/43/07/657574307.db2.gz RNKYPUYINZAAAH-CJNGLKHVSA-N 1 3 302.466 3.150 20 30 DGEDHO CC(C)c1cccc(NC(=[NH2+])NCCN2CCCCCC2)c1 ZINC000303910388 657578801 /nfs/dbraw/zinc/57/88/01/657578801.db2.gz YVFZGEXRZJBHPS-UHFFFAOYSA-N 1 3 302.466 3.413 20 30 DGEDHO C[C@@H](C#N)Oc1ccc(CNCc2cccc(C[NH+](C)C)c2)cc1 ZINC000237702495 659937092 /nfs/dbraw/zinc/93/70/92/659937092.db2.gz WQEWMVMRNGUQOZ-INIZCTEOSA-N 1 3 323.440 3.329 20 30 DGEDHO [NH3+]C[C@H]1CCCC12CCN(CC#Cc1ccc(F)cc1)CC2 ZINC001580260966 1192017347 /nfs/dbraw/zinc/01/73/47/1192017347.db2.gz UZYSKQMRZHSKDL-QGZVFWFLSA-N 1 3 300.421 3.018 20 30 DGEDHO CC1(C)C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1N ZINC001576458022 1191811349 /nfs/dbraw/zinc/81/13/49/1191811349.db2.gz UVZLOSVDFYQXLB-LJQANCHMSA-N 1 3 305.425 3.394 20 30 DGEDHO CC1(C)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1N ZINC001576458022 1191811416 /nfs/dbraw/zinc/81/14/16/1191811416.db2.gz UVZLOSVDFYQXLB-LJQANCHMSA-N 1 3 305.425 3.394 20 30 DGEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC001660468523 1196486981 /nfs/dbraw/zinc/48/69/81/1196486981.db2.gz ZVRWBWNNNSXZDC-RSPOEFSDSA-N 1 3 311.473 3.426 20 30 DGEDHO C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC001691753731 1198201394 /nfs/dbraw/zinc/20/13/94/1198201394.db2.gz BMTYSNRJDALMFH-SFHVURJKSA-N 1 3 323.525 3.042 20 30 DGEDHO C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CCCCN1C(C)C)C(C)C ZINC001691753731 1198201404 /nfs/dbraw/zinc/20/14/04/1198201404.db2.gz BMTYSNRJDALMFH-SFHVURJKSA-N 1 3 323.525 3.042 20 30 DGEDHO C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167627560 1082621454 /nfs/dbraw/zinc/62/14/54/1082621454.db2.gz PLOBCLUFWYZHJG-SFHVURJKSA-N 1 3 323.525 3.092 20 30 DGEDHO N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC001182500527 1083736116 /nfs/dbraw/zinc/73/61/16/1083736116.db2.gz VPXZWHWSVPMOLV-KNJMJIDISA-N 1 3 309.457 3.321 20 30 DGEDHO N#C[C@H]1CC[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC001182500527 1083736128 /nfs/dbraw/zinc/73/61/28/1083736128.db2.gz VPXZWHWSVPMOLV-KNJMJIDISA-N 1 3 309.457 3.321 20 30 DGEDHO N#C[C@H]1CC[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC001182500527 1083736137 /nfs/dbraw/zinc/73/61/37/1083736137.db2.gz VPXZWHWSVPMOLV-KNJMJIDISA-N 1 3 309.457 3.321 20 30 DGEDHO C=CCCCCCCCN1CCN(CC[NH+]2CCCC2)CC1 ZINC001209440662 1092774632 /nfs/dbraw/zinc/77/46/32/1092774632.db2.gz AVMUQMNUCHENIJ-UHFFFAOYSA-N 1 3 307.526 3.226 20 30 DGEDHO CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135705732 1094647414 /nfs/dbraw/zinc/64/74/14/1094647414.db2.gz ILQOGOPSABGLOR-IAGOWNOFSA-N 1 3 313.530 3.172 20 30 DGEDHO C=CCOc1ccc(CN2CCC[C@]23CCC[NH2+]CC3)cc1 ZINC001222308065 1095541575 /nfs/dbraw/zinc/54/15/75/1095541575.db2.gz GUQZMPCEQVOWJN-IBGZPJMESA-N 1 3 300.446 3.360 20 30 DGEDHO [NH3+]CC1(F)CCN(Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001222542289 1095659761 /nfs/dbraw/zinc/65/97/61/1095659761.db2.gz DIHVPLJQNGTXAB-UHFFFAOYSA-N 1 3 322.427 3.349 20 30 DGEDHO C=CCCC[C@H](N)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC001340172050 1095894646 /nfs/dbraw/zinc/89/46/46/1095894646.db2.gz GFHXEMHDEVLVHM-KRWDZBQOSA-N 1 3 303.450 3.151 20 30 DGEDHO C=CCOC1CCC(N2CCC([NH+]3CCC(F)CC3)CC2)CC1 ZINC001173327230 1097417768 /nfs/dbraw/zinc/41/77/68/1097417768.db2.gz JUJKDFCWSCXUAD-UHFFFAOYSA-N 1 3 324.484 3.399 20 30 DGEDHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccccc3C#Cc3ccccc3)C[C@@H]12 ZINC001236829862 1099814830 /nfs/dbraw/zinc/81/48/30/1099814830.db2.gz LICQSOVMBHFQBM-BHDDXSALSA-N 1 3 316.448 3.256 20 30 DGEDHO CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1CNCC[C@@H]1F ZINC001246001033 1104350583 /nfs/dbraw/zinc/35/05/83/1104350583.db2.gz KWCRIIPXJCZBDK-SQNIBIBYSA-N 1 3 316.505 3.415 20 30 DGEDHO CCCCCCCCCC[C@H](O)CNC[C@H]1C[NH2+]CC[C@@H]1F ZINC001246001033 1104350594 /nfs/dbraw/zinc/35/05/94/1104350594.db2.gz KWCRIIPXJCZBDK-SQNIBIBYSA-N 1 3 316.505 3.415 20 30 DGEDHO CCCCCCC[C@H](CCC)NCc1nnn2c1C[NH2+]CCC2 ZINC001246133390 1104401173 /nfs/dbraw/zinc/40/11/73/1104401173.db2.gz NPNPBWWJHGPWGH-INIZCTEOSA-N 1 3 321.513 3.390 20 30 DGEDHO CC(C)(C)[C@@H]1C[C@@H](NCCCOc2cccc(C#N)c2)CC[NH2+]1 ZINC001246328310 1104492852 /nfs/dbraw/zinc/49/28/52/1104492852.db2.gz KZQZMANGPOWFMS-WMZOPIPTSA-N 1 3 315.461 3.083 20 30 DGEDHO CCCCCCCC[C@@H](CC)N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246627529 1104634436 /nfs/dbraw/zinc/63/44/36/1104634436.db2.gz MJCDSSOZRKDMKG-QGZVFWFLSA-N 1 3 323.525 3.070 20 30 DGEDHO CCCCCCC[C@H](CC)N1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246650162 1104647096 /nfs/dbraw/zinc/64/70/96/1104647096.db2.gz HKCDMAOGIFTKFX-PKOBYXMFSA-N 1 3 323.525 3.070 20 30 DGEDHO C=C[C@](C)(O)C[N@@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001252549413 1105792032 /nfs/dbraw/zinc/79/20/32/1105792032.db2.gz FBQWSGBUAGPVRF-MUGJNUQGSA-N 1 3 314.473 3.034 20 30 DGEDHO C=C[C@](C)(O)C[N@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001252549413 1105792038 /nfs/dbraw/zinc/79/20/38/1105792038.db2.gz FBQWSGBUAGPVRF-MUGJNUQGSA-N 1 3 314.473 3.034 20 30 DGEDHO N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)C1 ZINC001254665770 1106127478 /nfs/dbraw/zinc/12/74/78/1106127478.db2.gz PXBHWJOQKSOTOF-SJLPKXTDSA-N 1 3 313.445 3.260 20 30 DGEDHO CC[C@H](CC#N)N(Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162646 1106195511 /nfs/dbraw/zinc/19/55/11/1106195511.db2.gz VFDWFSVUNDEFIQ-KZNAEPCWSA-N 1 3 315.461 3.459 20 30 DGEDHO CC[N@H+](C)Cc1cccc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000174351566 198323403 /nfs/dbraw/zinc/32/34/03/198323403.db2.gz WNRCQYIUHGTVIF-UHFFFAOYSA-N 1 3 323.440 3.308 20 30 DGEDHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000174351566 198323405 /nfs/dbraw/zinc/32/34/05/198323405.db2.gz WNRCQYIUHGTVIF-UHFFFAOYSA-N 1 3 323.440 3.308 20 30 DGEDHO CC(C)[NH+]1CCC(N(C)CCCOc2cccc(C#N)c2)CC1 ZINC000268643463 432115488 /nfs/dbraw/zinc/11/54/88/432115488.db2.gz DYUDANKSKRAAHK-UHFFFAOYSA-N 1 3 315.461 3.132 20 30 DGEDHO C[C@@H](CC1(C#N)CCOCC1)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000602515449 400485117 /nfs/dbraw/zinc/48/51/17/400485117.db2.gz VMRHVEXDXMAILY-KURKYZTESA-N 1 3 321.509 3.043 20 30 DGEDHO C[C@H](CC1(C#N)CCOCC1)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000602517678 400486057 /nfs/dbraw/zinc/48/60/57/400486057.db2.gz DHBWWRZKTLYIMT-LMMKCTJWSA-N 1 3 321.509 3.185 20 30 DGEDHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC1(CC#N)CC1 ZINC000602808200 400581718 /nfs/dbraw/zinc/58/17/18/400581718.db2.gz DHONQSHGXQCQST-IRXDYDNUSA-N 1 3 311.473 3.426 20 30 DGEDHO CN1CCCC[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000598995254 400923395 /nfs/dbraw/zinc/92/33/95/400923395.db2.gz WWDPJRRIRIRKCC-SFHVURJKSA-N 1 3 315.461 3.191 20 30 DGEDHO CC[NH+](CC)CCO[C@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000350328153 266116272 /nfs/dbraw/zinc/11/62/72/266116272.db2.gz MQPZJYVVLDYOOF-LPHOPBHVSA-N 1 3 315.461 3.052 20 30 DGEDHO CC[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000278875678 288040305 /nfs/dbraw/zinc/04/03/05/288040305.db2.gz XLUCFYMIRJGQRJ-APWZRJJASA-N 1 3 315.461 3.100 20 30 DGEDHO CC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000278875678 288040306 /nfs/dbraw/zinc/04/03/06/288040306.db2.gz XLUCFYMIRJGQRJ-APWZRJJASA-N 1 3 315.461 3.100 20 30 DGEDHO CN(CCCSCC#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000074991910 431447488 /nfs/dbraw/zinc/44/74/88/431447488.db2.gz HEODMGLIJKXJDN-SFHVURJKSA-N 1 3 317.502 3.087 20 30 DGEDHO CN(CCCSCC#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000074991910 431447494 /nfs/dbraw/zinc/44/74/94/431447494.db2.gz HEODMGLIJKXJDN-SFHVURJKSA-N 1 3 317.502 3.087 20 30 DGEDHO C=CCC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CC1 ZINC000248455508 432294153 /nfs/dbraw/zinc/29/41/53/432294153.db2.gz RMQPABDFCNTDRO-WOJBJXKFSA-N 1 3 314.473 3.088 20 30 DGEDHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccc(C#N)s2)C1 ZINC000176948529 432568618 /nfs/dbraw/zinc/56/86/18/432568618.db2.gz XWQGNOKRPHMAPZ-HUUCEWRRSA-N 1 3 305.491 3.467 20 30 DGEDHO C[C@H](CCC#N)[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000299582371 433374604 /nfs/dbraw/zinc/37/46/04/433374604.db2.gz HTKITDZRDYILAB-MRXNPFEDSA-N 1 3 300.450 3.312 20 30 DGEDHO C[C@H](CCC#N)[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000299582371 433374617 /nfs/dbraw/zinc/37/46/17/433374617.db2.gz HTKITDZRDYILAB-MRXNPFEDSA-N 1 3 300.450 3.312 20 30 DGEDHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(C#N)c(F)c2)C1 ZINC000421332526 433482609 /nfs/dbraw/zinc/48/26/09/433482609.db2.gz MDPLLWASRJNFLK-OAHLLOKOSA-N 1 3 303.425 3.299 20 30 DGEDHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(C#N)c(F)c2)C1 ZINC000421332526 433482616 /nfs/dbraw/zinc/48/26/16/433482616.db2.gz MDPLLWASRJNFLK-OAHLLOKOSA-N 1 3 303.425 3.299 20 30 DGEDHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc(C#N)c(F)c1 ZINC000421336937 433486112 /nfs/dbraw/zinc/48/61/12/433486112.db2.gz XOUPXHYOYVHJJO-OAHLLOKOSA-N 1 3 303.425 3.442 20 30 DGEDHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc(C#N)c(F)c1 ZINC000421336937 433486122 /nfs/dbraw/zinc/48/61/22/433486122.db2.gz XOUPXHYOYVHJJO-OAHLLOKOSA-N 1 3 303.425 3.442 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449549164 433752110 /nfs/dbraw/zinc/75/21/10/433752110.db2.gz VHOGFSZMSCRWKH-AITUJVMLSA-N 1 3 306.494 3.353 20 30 DGEDHO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449549164 433752112 /nfs/dbraw/zinc/75/21/12/433752112.db2.gz VHOGFSZMSCRWKH-AITUJVMLSA-N 1 3 306.494 3.353 20 30 DGEDHO C=CCOc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000414770905 433825792 /nfs/dbraw/zinc/82/57/92/433825792.db2.gz PUFHEIOJYMPMDW-IYBDPMFKSA-N 1 3 320.864 3.336 20 30 DGEDHO C=CCN(CC=C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000422835654 434040479 /nfs/dbraw/zinc/04/04/79/434040479.db2.gz PUKMGTDALSBYQZ-IYWMVGAKSA-N 1 3 319.537 3.195 20 30 DGEDHO C=CCCCCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000365362544 434294274 /nfs/dbraw/zinc/29/42/74/434294274.db2.gz KCOFCGZXWWHJNH-UHFFFAOYSA-N 1 3 307.526 3.223 20 30 DGEDHO N#C[C@H]1CCC[C@H](NC[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)C1 ZINC000423476772 434441595 /nfs/dbraw/zinc/44/15/95/434441595.db2.gz RJMHGPKTIDOMJH-FXECBMLZSA-N 1 3 315.436 3.191 20 30 DGEDHO N#C[C@H]1CCC[C@H]([NH2+]C[C@H]2CNCC[C@H]2c2ccc(F)cc2)C1 ZINC000423476772 434441602 /nfs/dbraw/zinc/44/16/02/434441602.db2.gz RJMHGPKTIDOMJH-FXECBMLZSA-N 1 3 315.436 3.191 20 30 DGEDHO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(N)CCN(Cc2ccccc2)CC1 ZINC000423545481 434483753 /nfs/dbraw/zinc/48/37/53/434483753.db2.gz CRCYLHXVHWHVPQ-MSOLQXFVSA-N 1 3 315.505 3.170 20 30 DGEDHO CC[NH+](CC)CCO[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411302206 434757357 /nfs/dbraw/zinc/75/73/57/434757357.db2.gz FPMCRCSUWQJUQM-GOSISDBHSA-N 1 3 321.509 3.283 20 30 DGEDHO C=CCOc1cccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000565331457 435278875 /nfs/dbraw/zinc/27/88/75/435278875.db2.gz HQQIMJFLGKBEJN-PKOBYXMFSA-N 1 3 300.446 3.168 20 30 DGEDHO C=CCOc1cccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000565331457 435278880 /nfs/dbraw/zinc/27/88/80/435278880.db2.gz HQQIMJFLGKBEJN-PKOBYXMFSA-N 1 3 300.446 3.168 20 30 DGEDHO C=CCC[C@@H](C)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC000665259805 435932728 /nfs/dbraw/zinc/93/27/28/435932728.db2.gz QOUBPUZPBDFEJC-KMFMINBZSA-N 1 3 306.425 3.224 20 30 DGEDHO C=CCOc1ccccc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786481 436045571 /nfs/dbraw/zinc/04/55/71/436045571.db2.gz SYZMLKOTOOMJLT-GOSISDBHSA-N 1 3 314.473 3.463 20 30 DGEDHO C=CC[C@@H](C)[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167430 436392248 /nfs/dbraw/zinc/39/22/48/436392248.db2.gz SDUIHROAIRXZGT-SJORKVTESA-N 1 3 301.478 3.484 20 30 DGEDHO C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000090180664 545823020 /nfs/dbraw/zinc/82/30/20/545823020.db2.gz VPJHYLVRCPXOQE-AWEZNQCLSA-N 1 3 324.390 3.377 20 30 DGEDHO COc1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cc1C#N ZINC000925583521 618500853 /nfs/dbraw/zinc/50/08/53/618500853.db2.gz MAPFHALFVUOSRW-OAHLLOKOSA-N 1 3 323.440 3.479 20 30 DGEDHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1cc(C#N)ccn1 ZINC000902802097 619675673 /nfs/dbraw/zinc/67/56/73/619675673.db2.gz IBUKLKRXZWUOHP-MRXNPFEDSA-N 1 3 300.450 3.260 20 30 DGEDHO N#Cc1cc(Cl)cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000903454455 619779361 /nfs/dbraw/zinc/77/93/61/619779361.db2.gz ZXIOSWQLTGBPFW-HOTGVXAUSA-N 1 3 303.837 3.033 20 30 DGEDHO C#CCOc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000764663260 622211511 /nfs/dbraw/zinc/21/15/11/622211511.db2.gz RJQZAZYUKHMYFC-KRWDZBQOSA-N 1 3 300.446 3.225 20 30 DGEDHO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCCC[C@H]2N)c1 ZINC000817919905 627961421 /nfs/dbraw/zinc/96/14/21/627961421.db2.gz WJSZHPCBZYXGER-NXHRZFHOSA-N 1 3 301.434 3.117 20 30 DGEDHO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2N)c1 ZINC000817919903 627961625 /nfs/dbraw/zinc/96/16/25/627961625.db2.gz WJSZHPCBZYXGER-KBAYOESNSA-N 1 3 301.434 3.117 20 30 DGEDHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc(OCC#N)cc1 ZINC000817961719 627977037 /nfs/dbraw/zinc/97/70/37/627977037.db2.gz ATDDFUFCJRDVHS-LSDHHAIUSA-N 1 3 309.413 3.459 20 30 DGEDHO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000303899311 657575086 /nfs/dbraw/zinc/57/50/86/657575086.db2.gz RNKYPUYINZAAAH-CZUORRHYSA-N 1 3 302.466 3.150 20 30 DGEDHO C=CCC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001331441069 1178215275 /nfs/dbraw/zinc/21/52/75/1178215275.db2.gz VWACEBYRWKRJHC-DLBZAZTESA-N 1 3 323.525 3.042 20 30 DGEDHO CCCCCCCC[C@@H](N)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC001343525655 1179291854 /nfs/dbraw/zinc/29/18/54/1179291854.db2.gz KBJDZNUURFKAKM-QGZVFWFLSA-N 1 3 311.514 3.053 20 30 DGEDHO CC1CC[NH+](CC[C@H]2CCCN2CCCSCC#N)CC1 ZINC001473716565 1183793435 /nfs/dbraw/zinc/79/34/35/1183793435.db2.gz IIKQUKMTRBMMEU-QGZVFWFLSA-N 1 3 309.523 3.220 20 30 DGEDHO CC1CCN(CC[C@H]2CCC[N@@H+]2CCCSCC#N)CC1 ZINC001473716565 1183793437 /nfs/dbraw/zinc/79/34/37/1183793437.db2.gz IIKQUKMTRBMMEU-QGZVFWFLSA-N 1 3 309.523 3.220 20 30 DGEDHO CC1CCN(CC[C@H]2CCC[N@H+]2CCCSCC#N)CC1 ZINC001473716565 1183793439 /nfs/dbraw/zinc/79/34/39/1183793439.db2.gz IIKQUKMTRBMMEU-QGZVFWFLSA-N 1 3 309.523 3.220 20 30 DGEDHO